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/g-quadruplex-fa31d31d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/g-quadruplex-fa31d31d/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/g-quadruplex-fa31d31d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/g-quadruplex-fa31d31d/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/g-quadruplex-fa31d31d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/g-quadruplex-fa31d31d/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/g-quadruplex-fa31d31d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/g-quadruplex-fa31d31d/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/g-quadruplex-fa31d31d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/g-quadruplex-fa31d31d/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/g-quadruplex-fa31d31d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/g-quadruplex-fa31d31d/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/g-quadruplex-fa31d31d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/g-quadruplex-fa31d31d/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/g-quadruplex-fa31d31d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/g-quadruplex-fa31d31d/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/g-quadruplex-fa31d31d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/g-quadruplex-fa31d31d/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/g-quadruplex-fa31d31d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/g-quadruplex-fa31d31d/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: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -130.167540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.167540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.167540 (E_RNA) where: Base-Base interactions energy: -66.440 where: short stacking energy: -66.440 Base-Backbone interact. energy: -0.017 local terms energy: -63.709954 where: bonds (distance) C4'-P energy: -10.738 bonds (distance) P-C4' energy: -11.212 flat angles C4'-P-C4' energy: -15.124 flat angles P-C4'-P energy: -7.869 tors. eta vs tors. theta energy: -18.767 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: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -123.220913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.220913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.220913 (E_RNA) where: Base-Base interactions energy: -62.184 where: short stacking energy: -52.242 Base-Backbone interact. energy: -0.005 local terms energy: -61.032264 where: bonds (distance) C4'-P energy: -15.303 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -11.914 flat angles P-C4'-P energy: -7.666 tors. eta vs tors. theta energy: -11.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 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: 3 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -123.726814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.726814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.726814 (E_RNA) where: Base-Base interactions energy: -61.708 where: short stacking energy: -61.708 Base-Backbone interact. energy: -0.010 local terms energy: -62.008646 where: bonds (distance) C4'-P energy: -12.932 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -8.862 flat angles P-C4'-P energy: -8.060 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: 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: 2 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -111.124353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.124353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.124353 (E_RNA) where: Base-Base interactions energy: -55.726 where: short stacking energy: -43.378 Base-Backbone interact. energy: -1.412 local terms energy: -53.986351 where: bonds (distance) C4'-P energy: -11.619 bonds (distance) P-C4' energy: -9.280 flat angles C4'-P-C4' energy: -13.455 flat angles P-C4'-P energy: -9.737 tors. eta vs tors. theta energy: -9.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -80.129569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.129569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.129569 (E_RNA) where: Base-Base interactions energy: -37.106 where: short stacking energy: -37.106 Base-Backbone interact. energy: -0.211 local terms energy: -42.813024 where: bonds (distance) C4'-P energy: -10.020 bonds (distance) P-C4' energy: -9.136 flat angles C4'-P-C4' energy: -9.442 flat angles P-C4'-P energy: -9.785 tors. eta vs tors. theta energy: -4.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -96.048515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.048515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.048515 (E_RNA) where: Base-Base interactions energy: -44.521 where: short stacking energy: -44.934 Base-Backbone interact. energy: -0.035 local terms energy: -51.492322 where: bonds (distance) C4'-P energy: -12.215 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -3.552 flat angles P-C4'-P energy: -7.387 tors. eta vs tors. theta energy: -12.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -82.645188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.645188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.645188 (E_RNA) where: Base-Base interactions energy: -37.880 where: short stacking energy: -32.396 Base-Backbone interact. energy: -0.083 local terms energy: -44.681800 where: bonds (distance) C4'-P energy: -11.857 bonds (distance) P-C4' energy: -14.357 flat angles C4'-P-C4' energy: -12.613 flat angles P-C4'-P energy: -0.973 tors. eta vs tors. theta energy: -4.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -80.988986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.988986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.988986 (E_RNA) where: Base-Base interactions energy: -42.343 where: short stacking energy: -32.060 Base-Backbone interact. energy: -0.151 local terms energy: -38.495119 where: bonds (distance) C4'-P energy: -13.076 bonds (distance) P-C4' energy: -4.924 flat angles C4'-P-C4' energy: -13.807 flat angles P-C4'-P energy: -2.587 tors. eta vs tors. theta energy: -4.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -133.039603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.039603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.039603 (E_RNA) where: Base-Base interactions energy: -66.508 where: short stacking energy: -66.508 Base-Backbone interact. energy: -0.077 local terms energy: -66.454694 where: bonds (distance) C4'-P energy: -11.490 bonds (distance) P-C4' energy: -15.746 flat angles C4'-P-C4' energy: -13.405 flat angles P-C4'-P energy: -8.892 tors. eta vs tors. theta energy: -16.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 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: 2 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -118.527203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.527203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.527203 (E_RNA) where: Base-Base interactions energy: -58.727 where: short stacking energy: -55.774 Base-Backbone interact. energy: -0.521 local terms energy: -59.279358 where: bonds (distance) C4'-P energy: -11.289 bonds (distance) P-C4' energy: -12.892 flat angles C4'-P-C4' energy: -13.347 flat angles P-C4'-P energy: -9.572 tors. eta vs tors. theta energy: -12.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -102.387501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.387501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.387501 (E_RNA) where: Base-Base interactions energy: -45.189 where: short stacking energy: -40.566 Base-Backbone interact. energy: -0.001 local terms energy: -57.197123 where: bonds (distance) C4'-P energy: -8.618 bonds (distance) P-C4' energy: -13.399 flat angles C4'-P-C4' energy: -13.736 flat angles P-C4'-P energy: -9.121 tors. eta vs tors. theta energy: -12.323 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: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -105.881029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.881029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.881029 (E_RNA) where: Base-Base interactions energy: -48.623 where: short stacking energy: -48.623 Base-Backbone interact. energy: -0.025 local terms energy: -57.233057 where: bonds (distance) C4'-P energy: -10.065 bonds (distance) P-C4' energy: -13.258 flat angles C4'-P-C4' energy: -14.399 flat angles P-C4'-P energy: -10.251 tors. eta vs tors. theta energy: -9.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 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: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -89.128905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.128905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.128905 (E_RNA) where: Base-Base interactions energy: -39.471 where: short stacking energy: -42.455 Base-Backbone interact. energy: -0.937 local terms energy: -48.721092 where: bonds (distance) C4'-P energy: -13.089 bonds (distance) P-C4' energy: -12.440 flat angles C4'-P-C4' energy: -10.003 flat angles P-C4'-P energy: -8.608 tors. eta vs tors. theta energy: -4.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -77.837164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.837164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.837164 (E_RNA) where: Base-Base interactions energy: -32.089 where: short stacking energy: -32.089 Base-Backbone interact. energy: -0.019 local terms energy: -45.730077 where: bonds (distance) C4'-P energy: -11.713 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -13.351 flat angles P-C4'-P energy: -6.798 tors. eta vs tors. theta energy: -7.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -77.909141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.909141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.909141 (E_RNA) where: Base-Base interactions energy: -35.894 where: short stacking energy: -35.894 Base-Backbone interact. energy: -0.097 local terms energy: -41.917881 where: bonds (distance) C4'-P energy: -13.870 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -10.223 flat angles P-C4'-P energy: -1.487 tors. eta vs tors. theta energy: -3.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -145.236770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.236770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.236770 (E_RNA) where: Base-Base interactions energy: -85.858 where: short stacking energy: -49.180 Base-Backbone interact. energy: -0.102 local terms energy: -59.276192 where: bonds (distance) C4'-P energy: -13.489 bonds (distance) P-C4' energy: -14.277 flat angles C4'-P-C4' energy: -13.180 flat angles P-C4'-P energy: -10.930 tors. eta vs tors. theta energy: -7.400 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: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -113.308042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.308042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.308042 (E_RNA) where: Base-Base interactions energy: -58.707 where: short stacking energy: -43.593 Base-Backbone interact. energy: -0.204 local terms energy: -54.397040 where: bonds (distance) C4'-P energy: -12.869 bonds (distance) P-C4' energy: -10.398 flat angles C4'-P-C4' energy: -14.967 flat angles P-C4'-P energy: -8.677 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: 3, replica: 2 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -111.986282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.986282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.986282 (E_RNA) where: Base-Base interactions energy: -50.638 where: short stacking energy: -50.638 Base-Backbone interact. energy: -0.001 local terms energy: -61.347341 where: bonds (distance) C4'-P energy: -12.420 bonds (distance) P-C4' energy: -13.194 flat angles C4'-P-C4' energy: -15.400 flat angles P-C4'-P energy: -9.710 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: 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: 9 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -109.877599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.877599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.877599 (E_RNA) where: Base-Base interactions energy: -50.009 where: short stacking energy: -50.009 Base-Backbone interact. energy: -0.115 local terms energy: -59.753798 where: bonds (distance) C4'-P energy: -14.066 bonds (distance) P-C4' energy: -11.051 flat angles C4'-P-C4' energy: -11.166 flat angles P-C4'-P energy: -11.836 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: 6, replica: 7 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -108.018460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.018460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.018460 (E_RNA) where: Base-Base interactions energy: -59.024 where: short stacking energy: -38.799 Base-Backbone interact. energy: -0.169 local terms energy: -48.824580 where: bonds (distance) C4'-P energy: -13.406 bonds (distance) P-C4' energy: -12.665 flat angles C4'-P-C4' energy: -12.827 flat angles P-C4'-P energy: -3.574 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: 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: 10 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -81.955580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.955580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.955580 (E_RNA) where: Base-Base interactions energy: -34.343 where: short stacking energy: -29.789 Base-Backbone interact. energy: -0.036 local terms energy: -47.576597 where: bonds (distance) C4'-P energy: -14.004 bonds (distance) P-C4' energy: -8.485 flat angles C4'-P-C4' energy: -11.052 flat angles P-C4'-P energy: -9.716 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: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -84.054632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.054632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.054632 (E_RNA) where: Base-Base interactions energy: -36.875 where: short stacking energy: -23.500 Base-Backbone interact. energy: -0.124 local terms energy: -47.055320 where: bonds (distance) C4'-P energy: -11.660 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -12.109 flat angles P-C4'-P energy: -7.737 tors. eta vs tors. theta energy: -1.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -74.814150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.814150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.814150 (E_RNA) where: Base-Base interactions energy: -35.102 where: short stacking energy: -33.406 Base-Backbone interact. energy: 1.004 local terms energy: -40.716494 where: bonds (distance) C4'-P energy: -8.318 bonds (distance) P-C4' energy: -12.008 flat angles C4'-P-C4' energy: -15.175 flat angles P-C4'-P energy: -2.946 tors. eta vs tors. theta energy: -2.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -150.796944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.796944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.796944 (E_RNA) where: Base-Base interactions energy: -87.742 where: short stacking energy: -57.197 Base-Backbone interact. energy: -0.060 local terms energy: -62.994525 where: bonds (distance) C4'-P energy: -13.854 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -11.781 flat angles P-C4'-P energy: -9.928 tors. eta vs tors. theta energy: -12.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -118.516613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.516613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.516613 (E_RNA) where: Base-Base interactions energy: -57.395 where: short stacking energy: -57.395 Base-Backbone interact. energy: -0.001 local terms energy: -61.120862 where: bonds (distance) C4'-P energy: -13.871 bonds (distance) P-C4' energy: -14.255 flat angles C4'-P-C4' energy: -10.361 flat angles P-C4'-P energy: -7.758 tors. eta vs tors. theta energy: -14.876 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: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -114.679638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.679638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.679638 (E_RNA) where: Base-Base interactions energy: -56.797 where: short stacking energy: -56.469 Base-Backbone interact. energy: -0.028 local terms energy: -57.855015 where: bonds (distance) C4'-P energy: -9.436 bonds (distance) P-C4' energy: -15.016 flat angles C4'-P-C4' energy: -11.317 flat angles P-C4'-P energy: -10.698 tors. eta vs tors. theta energy: -11.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -113.217907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.217907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.217907 (E_RNA) where: Base-Base interactions energy: -55.630 where: short stacking energy: -55.630 Base-Backbone interact. energy: -0.242 local terms energy: -57.346123 where: bonds (distance) C4'-P energy: -14.777 bonds (distance) P-C4' energy: -10.961 flat angles C4'-P-C4' energy: -11.318 flat angles P-C4'-P energy: -8.464 tors. eta vs tors. theta energy: -11.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 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: 7 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -140.133424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.133424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.133424 (E_RNA) where: Base-Base interactions energy: -82.147 where: short stacking energy: -54.141 Base-Backbone interact. energy: -1.219 local terms energy: -56.767199 where: bonds (distance) C4'-P energy: -14.393 bonds (distance) P-C4' energy: -13.949 flat angles C4'-P-C4' energy: -10.222 flat angles P-C4'-P energy: -7.857 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: 7, replica: 5 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -98.257328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.257328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.257328 (E_RNA) where: Base-Base interactions energy: -42.590 where: short stacking energy: -40.904 Base-Backbone interact. energy: -0.004 local terms energy: -55.662976 where: bonds (distance) C4'-P energy: -12.640 bonds (distance) P-C4' energy: -16.471 flat angles C4'-P-C4' energy: -12.833 flat angles P-C4'-P energy: -5.979 tors. eta vs tors. theta energy: -7.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -82.254341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.254341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.254341 (E_RNA) where: Base-Base interactions energy: -39.515 where: short stacking energy: -38.405 Base-Backbone interact. energy: -0.011 local terms energy: -42.728338 where: bonds (distance) C4'-P energy: -10.579 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -9.846 flat angles P-C4'-P energy: -2.905 tors. eta vs tors. theta energy: -5.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -76.356580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.356580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.356580 (E_RNA) where: Base-Base interactions energy: -35.242 where: short stacking energy: -24.012 Base-Backbone interact. energy: -0.750 local terms energy: -40.364014 where: bonds (distance) C4'-P energy: -6.923 bonds (distance) P-C4' energy: -9.960 flat angles C4'-P-C4' energy: -13.050 flat angles P-C4'-P energy: -8.698 tors. eta vs tors. theta energy: -1.733 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: 6 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -84.977708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.977708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.977708 (E_RNA) where: Base-Base interactions energy: -36.006 where: short stacking energy: -30.691 Base-Backbone interact. energy: 0.175 local terms energy: -49.145878 where: bonds (distance) C4'-P energy: -9.563 bonds (distance) P-C4' energy: -12.135 flat angles C4'-P-C4' energy: -12.464 flat angles P-C4'-P energy: -10.540 tors. eta vs tors. theta energy: -4.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -154.402456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.402456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.402456 (E_RNA) where: Base-Base interactions energy: -97.681 where: short stacking energy: -53.008 Base-Backbone interact. energy: -0.006 local terms energy: -56.715263 where: bonds (distance) C4'-P energy: -10.923 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -11.907 flat angles P-C4'-P energy: -11.110 tors. eta vs tors. theta energy: -10.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -123.820909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.820909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.820909 (E_RNA) where: Base-Base interactions energy: -65.941 where: short stacking energy: -50.588 Base-Backbone interact. energy: -0.002 local terms energy: -57.877764 where: bonds (distance) C4'-P energy: -12.318 bonds (distance) P-C4' energy: -14.660 flat angles C4'-P-C4' energy: -11.398 flat angles P-C4'-P energy: -9.166 tors. eta vs tors. theta energy: -10.337 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: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -99.086853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.086853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.086853 (E_RNA) where: Base-Base interactions energy: -49.049 where: short stacking energy: -49.049 Base-Backbone interact. energy: -0.181 local terms energy: -49.856852 where: bonds (distance) C4'-P energy: -10.443 bonds (distance) P-C4' energy: -9.918 flat angles C4'-P-C4' energy: -13.930 flat angles P-C4'-P energy: -8.333 tors. eta vs tors. theta energy: -7.232 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: 9 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -96.984945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.984945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.984945 (E_RNA) where: Base-Base interactions energy: -42.282 where: short stacking energy: -37.407 Base-Backbone interact. energy: -0.279 local terms energy: -54.423967 where: bonds (distance) C4'-P energy: -13.275 bonds (distance) P-C4' energy: -15.185 flat angles C4'-P-C4' energy: -11.807 flat angles P-C4'-P energy: -7.419 tors. eta vs tors. theta energy: -6.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -122.913181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.913181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.913181 (E_RNA) where: Base-Base interactions energy: -70.637 where: short stacking energy: -40.485 Base-Backbone interact. energy: -0.489 local terms energy: -51.787768 where: bonds (distance) C4'-P energy: -12.248 bonds (distance) P-C4' energy: -12.975 flat angles C4'-P-C4' energy: -12.062 flat angles P-C4'-P energy: -10.298 tors. eta vs tors. theta energy: -4.205 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: 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: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -96.026679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.026679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.026679 (E_RNA) where: Base-Base interactions energy: -48.787 where: short stacking energy: -42.983 Base-Backbone interact. energy: -0.079 local terms energy: -47.160254 where: bonds (distance) C4'-P energy: -7.557 bonds (distance) P-C4' energy: -12.774 flat angles C4'-P-C4' energy: -12.547 flat angles P-C4'-P energy: -8.249 tors. eta vs tors. theta energy: -6.033 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: 5 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -82.651122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.651122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.651122 (E_RNA) where: Base-Base interactions energy: -29.948 where: short stacking energy: -29.948 Base-Backbone interact. energy: -0.201 local terms energy: -52.502127 where: bonds (distance) C4'-P energy: -9.709 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -12.130 flat angles P-C4'-P energy: -8.080 tors. eta vs tors. theta energy: -7.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -76.662942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.662942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.662942 (E_RNA) where: Base-Base interactions energy: -39.797 where: short stacking energy: -39.797 Base-Backbone interact. energy: -0.081 local terms energy: -36.784485 where: bonds (distance) C4'-P energy: -13.316 bonds (distance) P-C4' energy: -4.579 flat angles C4'-P-C4' energy: -7.089 flat angles P-C4'-P energy: -5.813 tors. eta vs tors. theta energy: -5.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -79.280608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.280608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.280608 (E_RNA) where: Base-Base interactions energy: -33.672 where: short stacking energy: -33.672 Base-Backbone interact. energy: -0.014 local terms energy: -45.595207 where: bonds (distance) C4'-P energy: -11.775 bonds (distance) P-C4' energy: -9.006 flat angles C4'-P-C4' energy: -12.233 flat angles P-C4'-P energy: -5.796 tors. eta vs tors. theta energy: -6.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -150.663658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.663658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.663658 (E_RNA) where: Base-Base interactions energy: -94.828 where: short stacking energy: -55.556 Base-Backbone interact. energy: -0.017 local terms energy: -55.818546 where: bonds (distance) C4'-P energy: -13.341 bonds (distance) P-C4' energy: -14.979 flat angles C4'-P-C4' energy: -7.971 flat angles P-C4'-P energy: -6.512 tors. eta vs tors. theta energy: -13.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -124.992153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.992153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.992153 (E_RNA) where: Base-Base interactions energy: -61.665 where: short stacking energy: -49.715 Base-Backbone interact. energy: -0.035 local terms energy: -63.291698 where: bonds (distance) C4'-P energy: -12.700 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -14.611 flat angles P-C4'-P energy: -10.795 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: 3 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -128.423990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.423990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.423990 (E_RNA) where: Base-Base interactions energy: -63.783 where: short stacking energy: -63.783 Base-Backbone interact. energy: -0.009 local terms energy: -64.632781 where: bonds (distance) C4'-P energy: -12.919 bonds (distance) P-C4' energy: -12.014 flat angles C4'-P-C4' energy: -10.985 flat angles P-C4'-P energy: -10.611 tors. eta vs tors. theta energy: -18.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -140.636442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.636442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.636442 (E_RNA) where: Base-Base interactions energy: -79.650 where: short stacking energy: -54.218 Base-Backbone interact. energy: -0.023 local terms energy: -60.962931 where: bonds (distance) C4'-P energy: -12.339 bonds (distance) P-C4' energy: -15.090 flat angles C4'-P-C4' energy: -13.300 flat angles P-C4'-P energy: -9.318 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: 5, replica: 9 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -89.867907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.867907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.867907 (E_RNA) where: Base-Base interactions energy: -37.242 where: short stacking energy: -37.242 Base-Backbone interact. energy: -0.689 local terms energy: -51.937445 where: bonds (distance) C4'-P energy: -12.843 bonds (distance) P-C4' energy: -12.222 flat angles C4'-P-C4' energy: -11.053 flat angles P-C4'-P energy: -7.051 tors. eta vs tors. theta energy: -8.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -106.436008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.436008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.436008 (E_RNA) where: Base-Base interactions energy: -47.721 where: short stacking energy: -44.068 Base-Backbone interact. energy: -0.001 local terms energy: -58.714449 where: bonds (distance) C4'-P energy: -14.938 bonds (distance) P-C4' energy: -10.890 flat angles C4'-P-C4' energy: -12.087 flat angles P-C4'-P energy: -9.605 tors. eta vs tors. theta energy: -11.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -96.287220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.287220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.287220 (E_RNA) where: Base-Base interactions energy: -45.649 where: short stacking energy: -45.375 Base-Backbone interact. energy: -0.036 local terms energy: -50.601738 where: bonds (distance) C4'-P energy: -13.755 bonds (distance) P-C4' energy: -12.112 flat angles C4'-P-C4' energy: -11.893 flat angles P-C4'-P energy: -6.333 tors. eta vs tors. theta energy: -6.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -84.424970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.424970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.424970 (E_RNA) where: Base-Base interactions energy: -33.006 where: short stacking energy: -31.381 Base-Backbone interact. energy: -0.132 local terms energy: -51.286387 where: bonds (distance) C4'-P energy: -13.187 bonds (distance) P-C4' energy: -14.339 flat angles C4'-P-C4' energy: -10.403 flat angles P-C4'-P energy: -9.284 tors. eta vs tors. theta energy: -4.073 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: 5 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -95.179696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.179696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.179696 (E_RNA) where: Base-Base interactions energy: -49.339 where: short stacking energy: -39.184 Base-Backbone interact. energy: -0.038 local terms energy: -45.801938 where: bonds (distance) C4'-P energy: -9.275 bonds (distance) P-C4' energy: -11.659 flat angles C4'-P-C4' energy: -10.004 flat angles P-C4'-P energy: -5.821 tors. eta vs tors. theta energy: -9.042 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: 9 Temperature: 1.350000 Total energy: -76.985450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.985450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.985450 (E_RNA) where: Base-Base interactions energy: -34.014 where: short stacking energy: -32.281 Base-Backbone interact. energy: -0.212 local terms energy: -42.760207 where: bonds (distance) C4'-P energy: -11.060 bonds (distance) P-C4' energy: -6.947 flat angles C4'-P-C4' energy: -10.189 flat angles P-C4'-P energy: -9.219 tors. eta vs tors. theta energy: -5.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -148.783786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.783786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.783786 (E_RNA) where: Base-Base interactions energy: -84.929 where: short stacking energy: -54.900 Base-Backbone interact. energy: -0.010 local terms energy: -63.845127 where: bonds (distance) C4'-P energy: -13.407 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -13.201 flat angles P-C4'-P energy: -10.223 tors. eta vs tors. theta energy: -11.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -126.199185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.199185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.199185 (E_RNA) where: Base-Base interactions energy: -65.547 where: short stacking energy: -56.619 Base-Backbone interact. energy: -0.050 local terms energy: -60.601584 where: bonds (distance) C4'-P energy: -13.063 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -11.243 flat angles P-C4'-P energy: -10.993 tors. eta vs tors. theta energy: -10.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -143.064701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.064701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.064701 (E_RNA) where: Base-Base interactions energy: -85.389 where: short stacking energy: -47.901 Base-Backbone interact. energy: -0.053 local terms energy: -57.622563 where: bonds (distance) C4'-P energy: -12.273 bonds (distance) P-C4' energy: -12.486 flat angles C4'-P-C4' energy: -14.289 flat angles P-C4'-P energy: -8.816 tors. eta vs tors. theta energy: -9.760 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: 4, replica: 3 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -115.644099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.644099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.644099 (E_RNA) where: Base-Base interactions energy: -55.591 where: short stacking energy: -55.591 Base-Backbone interact. energy: -0.005 local terms energy: -60.048565 where: bonds (distance) C4'-P energy: -14.662 bonds (distance) P-C4' energy: -12.073 flat angles C4'-P-C4' energy: -14.246 flat angles P-C4'-P energy: -6.646 tors. eta vs tors. theta energy: -12.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -117.153383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.153383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.153383 (E_RNA) where: Base-Base interactions energy: -60.920 where: short stacking energy: -46.444 Base-Backbone interact. energy: -0.390 local terms energy: -55.843211 where: bonds (distance) C4'-P energy: -12.875 bonds (distance) P-C4' energy: -13.443 flat angles C4'-P-C4' energy: -13.871 flat angles P-C4'-P energy: -7.055 tors. eta vs tors. theta energy: -8.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -90.574834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.574834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.574834 (E_RNA) where: Base-Base interactions energy: -42.660 where: short stacking energy: -38.455 Base-Backbone interact. energy: -0.107 local terms energy: -47.807756 where: bonds (distance) C4'-P energy: -10.828 bonds (distance) P-C4' energy: -7.588 flat angles C4'-P-C4' energy: -13.277 flat angles P-C4'-P energy: -8.234 tors. eta vs tors. theta energy: -7.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -98.193771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.193771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.193771 (E_RNA) where: Base-Base interactions energy: -50.951 where: short stacking energy: -31.180 Base-Backbone interact. energy: 2.321 local terms energy: -49.563299 where: bonds (distance) C4'-P energy: -10.617 bonds (distance) P-C4' energy: -12.348 flat angles C4'-P-C4' energy: -11.596 flat angles P-C4'-P energy: -8.216 tors. eta vs tors. theta energy: -6.785 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: 1 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -88.997358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.997358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.997358 (E_RNA) where: Base-Base interactions energy: -41.685 where: short stacking energy: -41.685 Base-Backbone interact. energy: -0.051 local terms energy: -47.262152 where: bonds (distance) C4'-P energy: -10.260 bonds (distance) P-C4' energy: -13.232 flat angles C4'-P-C4' energy: -12.612 flat angles P-C4'-P energy: -6.319 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: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -84.361633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.361633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.361633 (E_RNA) where: Base-Base interactions energy: -37.290 where: short stacking energy: -35.533 Base-Backbone interact. energy: -0.076 local terms energy: -46.995507 where: bonds (distance) C4'-P energy: -8.078 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -13.094 flat angles P-C4'-P energy: -5.275 tors. eta vs tors. theta energy: -6.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -74.371814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.371814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.371814 (E_RNA) where: Base-Base interactions energy: -37.090 where: short stacking energy: -28.061 Base-Backbone interact. energy: -0.310 local terms energy: -36.971562 where: bonds (distance) C4'-P energy: -10.066 bonds (distance) P-C4' energy: -11.675 flat angles C4'-P-C4' energy: -8.675 flat angles P-C4'-P energy: -7.513 tors. eta vs tors. theta energy: 0.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -162.552214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.552214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.552214 (E_RNA) where: Base-Base interactions energy: -98.431 where: short stacking energy: -61.983 Base-Backbone interact. energy: -0.016 local terms energy: -64.106023 where: bonds (distance) C4'-P energy: -10.695 bonds (distance) P-C4' energy: -13.619 flat angles C4'-P-C4' energy: -15.365 flat angles P-C4'-P energy: -7.738 tors. eta vs tors. theta energy: -16.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -153.585748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.585748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.585748 (E_RNA) where: Base-Base interactions energy: -92.026 where: short stacking energy: -57.161 Base-Backbone interact. energy: -0.308 local terms energy: -61.252050 where: bonds (distance) C4'-P energy: -12.133 bonds (distance) P-C4' energy: -13.514 flat angles C4'-P-C4' energy: -14.457 flat angles P-C4'-P energy: -8.102 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: 3, replica: 2 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -109.719280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.719280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.719280 (E_RNA) where: Base-Base interactions energy: -50.367 where: short stacking energy: -50.154 Base-Backbone interact. energy: -0.044 local terms energy: -59.308276 where: bonds (distance) C4'-P energy: -14.148 bonds (distance) P-C4' energy: -13.666 flat angles C4'-P-C4' energy: -12.111 flat angles P-C4'-P energy: -8.160 tors. eta vs tors. theta energy: -11.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -106.028110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.028110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.028110 (E_RNA) where: Base-Base interactions energy: -57.026 where: short stacking energy: -57.026 Base-Backbone interact. energy: -0.139 local terms energy: -48.863145 where: bonds (distance) C4'-P energy: -11.071 bonds (distance) P-C4' energy: -9.815 flat angles C4'-P-C4' energy: -13.568 flat angles P-C4'-P energy: -2.068 tors. eta vs tors. theta energy: -12.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -98.579473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.579473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.579473 (E_RNA) where: Base-Base interactions energy: -43.626 where: short stacking energy: -39.414 Base-Backbone interact. energy: -0.083 local terms energy: -54.870709 where: bonds (distance) C4'-P energy: -9.800 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -13.590 flat angles P-C4'-P energy: -9.134 tors. eta vs tors. theta energy: -7.297 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: 6, replica: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -90.019802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.019802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.019802 (E_RNA) where: Base-Base interactions energy: -40.605 where: short stacking energy: -40.605 Base-Backbone interact. energy: -0.018 local terms energy: -49.396383 where: bonds (distance) C4'-P energy: -15.419 bonds (distance) P-C4' energy: -13.614 flat angles C4'-P-C4' energy: -8.222 flat angles P-C4'-P energy: -6.366 tors. eta vs tors. theta energy: -5.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -97.552047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.552047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.552047 (E_RNA) where: Base-Base interactions energy: -47.696 where: short stacking energy: -41.854 Base-Backbone interact. energy: 0.148 local terms energy: -50.003663 where: bonds (distance) C4'-P energy: -7.127 bonds (distance) P-C4' energy: -12.495 flat angles C4'-P-C4' energy: -12.142 flat angles P-C4'-P energy: -10.131 tors. eta vs tors. theta energy: -8.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -83.084786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.084786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.084786 (E_RNA) where: Base-Base interactions energy: -36.719 where: short stacking energy: -36.719 Base-Backbone interact. energy: -0.096 local terms energy: -46.269383 where: bonds (distance) C4'-P energy: -7.760 bonds (distance) P-C4' energy: -12.738 flat angles C4'-P-C4' energy: -10.718 flat angles P-C4'-P energy: -7.813 tors. eta vs tors. theta energy: -7.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -75.842404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.842404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.842404 (E_RNA) where: Base-Base interactions energy: -37.020 where: short stacking energy: -30.930 Base-Backbone interact. energy: -0.293 local terms energy: -38.528768 where: bonds (distance) C4'-P energy: -14.144 bonds (distance) P-C4' energy: -9.873 flat angles C4'-P-C4' energy: -9.925 flat angles P-C4'-P energy: -2.433 tors. eta vs tors. theta energy: -2.153 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: 5 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -71.210146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.210146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.210146 (E_RNA) where: Base-Base interactions energy: -28.697 where: short stacking energy: -28.697 Base-Backbone interact. energy: 2.220 local terms energy: -44.733090 where: bonds (distance) C4'-P energy: -13.925 bonds (distance) P-C4' energy: -13.495 flat angles C4'-P-C4' energy: -9.277 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -4.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -140.710353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.710353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.710353 (E_RNA) where: Base-Base interactions energy: -84.353 where: short stacking energy: -51.567 Base-Backbone interact. energy: -0.004 local terms energy: -56.353146 where: bonds (distance) C4'-P energy: -8.025 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -12.391 flat angles P-C4'-P energy: -7.453 tors. eta vs tors. theta energy: -13.866 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: 12 Temperature: 0.950000 Total energy: -155.548832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.548832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.548832 (E_RNA) where: Base-Base interactions energy: -95.436 where: short stacking energy: -59.734 Base-Backbone interact. energy: -0.018 local terms energy: -60.095254 where: bonds (distance) C4'-P energy: -15.543 bonds (distance) P-C4' energy: -13.700 flat angles C4'-P-C4' energy: -13.018 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -13.464 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: 8 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -112.925505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.925505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.925505 (E_RNA) where: Base-Base interactions energy: -53.376 where: short stacking energy: -53.376 Base-Backbone interact. energy: -0.003 local terms energy: -59.545865 where: bonds (distance) C4'-P energy: -11.350 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -12.359 flat angles P-C4'-P energy: -9.089 tors. eta vs tors. theta energy: -11.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -97.852515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.852515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.852515 (E_RNA) where: Base-Base interactions energy: -41.325 where: short stacking energy: -40.914 Base-Backbone interact. energy: 0.359 local terms energy: -56.886103 where: bonds (distance) C4'-P energy: -10.778 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -13.907 flat angles P-C4'-P energy: -10.263 tors. eta vs tors. theta energy: -7.702 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: 12 Temperature: 1.100000 Total energy: -114.658932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.658932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.658932 (E_RNA) where: Base-Base interactions energy: -55.697 where: short stacking energy: -53.756 Base-Backbone interact. energy: -0.321 local terms energy: -58.640910 where: bonds (distance) C4'-P energy: -11.456 bonds (distance) P-C4' energy: -10.727 flat angles C4'-P-C4' energy: -12.164 flat angles P-C4'-P energy: -11.535 tors. eta vs tors. theta energy: -12.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -90.612246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.612246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.612246 (E_RNA) where: Base-Base interactions energy: -43.596 where: short stacking energy: -29.306 Base-Backbone interact. energy: -0.175 local terms energy: -46.841295 where: bonds (distance) C4'-P energy: -13.287 bonds (distance) P-C4' energy: -9.781 flat angles C4'-P-C4' energy: -11.044 flat angles P-C4'-P energy: -5.363 tors. eta vs tors. theta energy: -7.367 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: 7, replica: 10 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -74.856584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.856584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.856584 (E_RNA) where: Base-Base interactions energy: -31.700 where: short stacking energy: -27.463 Base-Backbone interact. energy: 2.261 local terms energy: -45.417089 where: bonds (distance) C4'-P energy: -13.472 bonds (distance) P-C4' energy: -11.155 flat angles C4'-P-C4' energy: -11.936 flat angles P-C4'-P energy: -7.812 tors. eta vs tors. theta energy: -1.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -92.351907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.351907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.351907 (E_RNA) where: Base-Base interactions energy: -43.811 where: short stacking energy: -40.068 Base-Backbone interact. energy: -0.048 local terms energy: -48.492334 where: bonds (distance) C4'-P energy: -10.360 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -8.612 flat angles P-C4'-P energy: -8.152 tors. eta vs tors. theta energy: -6.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -79.116745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.116745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.116745 (E_RNA) where: Base-Base interactions energy: -31.193 where: short stacking energy: -31.193 Base-Backbone interact. energy: -0.045 local terms energy: -47.879509 where: bonds (distance) C4'-P energy: -10.046 bonds (distance) P-C4' energy: -15.265 flat angles C4'-P-C4' energy: -12.168 flat angles P-C4'-P energy: -4.190 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: 5 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -87.069088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.069088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.069088 (E_RNA) where: Base-Base interactions energy: -41.675 where: short stacking energy: -27.692 Base-Backbone interact. energy: 0.170 local terms energy: -45.563953 where: bonds (distance) C4'-P energy: -9.941 bonds (distance) P-C4' energy: -14.167 flat angles C4'-P-C4' energy: -11.201 flat angles P-C4'-P energy: -8.757 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: 1, replica: 7 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -158.690238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.690238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.690238 (E_RNA) where: Base-Base interactions energy: -93.343 where: short stacking energy: -53.558 Base-Backbone interact. energy: -0.043 local terms energy: -65.303935 where: bonds (distance) C4'-P energy: -15.402 bonds (distance) P-C4' energy: -12.054 flat angles C4'-P-C4' energy: -13.752 flat angles P-C4'-P energy: -9.314 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: 2, replica: 4 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -155.942813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.942813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.942813 (E_RNA) where: Base-Base interactions energy: -95.852 where: short stacking energy: -62.328 Base-Backbone interact. energy: -0.660 local terms energy: -59.430709 where: bonds (distance) C4'-P energy: -10.959 bonds (distance) P-C4' energy: -13.332 flat angles C4'-P-C4' energy: -11.360 flat angles P-C4'-P energy: -7.826 tors. eta vs tors. theta energy: -15.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -123.347404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.347404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.347404 (E_RNA) where: Base-Base interactions energy: -60.770 where: short stacking energy: -47.840 Base-Backbone interact. energy: -0.062 local terms energy: -62.515309 where: bonds (distance) C4'-P energy: -12.368 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -11.981 flat angles P-C4'-P energy: -10.736 tors. eta vs tors. theta energy: -11.467 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: 6 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -120.684026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.684026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.684026 (E_RNA) where: Base-Base interactions energy: -64.911 where: short stacking energy: -47.723 Base-Backbone interact. energy: -0.003 local terms energy: -55.770250 where: bonds (distance) C4'-P energy: -14.375 bonds (distance) P-C4' energy: -12.278 flat angles C4'-P-C4' energy: -12.085 flat angles P-C4'-P energy: -8.176 tors. eta vs tors. theta energy: -8.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -100.017138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.017138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.017138 (E_RNA) where: Base-Base interactions energy: -40.033 where: short stacking energy: -40.033 Base-Backbone interact. energy: -0.216 local terms energy: -59.768337 where: bonds (distance) C4'-P energy: -14.181 bonds (distance) P-C4' energy: -15.973 flat angles C4'-P-C4' energy: -12.410 flat angles P-C4'-P energy: -7.881 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: 6, replica: 3 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -98.950949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.950949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.950949 (E_RNA) where: Base-Base interactions energy: -49.242 where: short stacking energy: -49.242 Base-Backbone interact. energy: -0.304 local terms energy: -49.404940 where: bonds (distance) C4'-P energy: -8.066 bonds (distance) P-C4' energy: -15.506 flat angles C4'-P-C4' energy: -8.398 flat angles P-C4'-P energy: -6.879 tors. eta vs tors. theta energy: -10.557 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: 10 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -88.491137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.491137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.491137 (E_RNA) where: Base-Base interactions energy: -35.899 where: short stacking energy: -33.626 Base-Backbone interact. energy: -0.041 local terms energy: -52.551126 where: bonds (distance) C4'-P energy: -11.946 bonds (distance) P-C4' energy: -16.218 flat angles C4'-P-C4' energy: -8.938 flat angles P-C4'-P energy: -6.888 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: 8, replica: 1 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -89.807649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.807649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.807649 (E_RNA) where: Base-Base interactions energy: -33.483 where: short stacking energy: -33.483 Base-Backbone interact. energy: -0.093 local terms energy: -56.231448 where: bonds (distance) C4'-P energy: -13.867 bonds (distance) P-C4' energy: -14.758 flat angles C4'-P-C4' energy: -10.496 flat angles P-C4'-P energy: -9.398 tors. eta vs tors. theta energy: -7.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -68.570870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.570870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.570870 (E_RNA) where: Base-Base interactions energy: -27.661 where: short stacking energy: -27.809 Base-Backbone interact. energy: -0.006 local terms energy: -40.903796 where: bonds (distance) C4'-P energy: -5.785 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -12.236 flat angles P-C4'-P energy: 0.760 tors. eta vs tors. theta energy: -8.593 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: 5 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -73.832370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.832370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.832370 (E_RNA) where: Base-Base interactions energy: -28.109 where: short stacking energy: -28.109 Base-Backbone interact. energy: -0.043 local terms energy: -45.680204 where: bonds (distance) C4'-P energy: -11.610 bonds (distance) P-C4' energy: -13.091 flat angles C4'-P-C4' energy: -13.589 flat angles P-C4'-P energy: -5.660 tors. eta vs tors. theta energy: -1.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -160.291790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.291790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.291790 (E_RNA) where: Base-Base interactions energy: -100.738 where: short stacking energy: -62.714 Base-Backbone interact. energy: 0.509 local terms energy: -60.062900 where: bonds (distance) C4'-P energy: -9.234 bonds (distance) P-C4' energy: -16.013 flat angles C4'-P-C4' energy: -11.897 flat angles P-C4'-P energy: -8.832 tors. eta vs tors. theta energy: -14.086 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: 2, replica: 4 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -159.276630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.276630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.276630 (E_RNA) where: Base-Base interactions energy: -95.828 where: short stacking energy: -63.190 Base-Backbone interact. energy: -0.004 local terms energy: -63.444769 where: bonds (distance) C4'-P energy: -12.202 bonds (distance) P-C4' energy: -12.589 flat angles C4'-P-C4' energy: -12.262 flat angles P-C4'-P energy: -9.926 tors. eta vs tors. theta energy: -16.466 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: 8 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -126.740322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.740322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.740322 (E_RNA) where: Base-Base interactions energy: -67.195 where: short stacking energy: -53.980 Base-Backbone interact. energy: -0.023 local terms energy: -59.522456 where: bonds (distance) C4'-P energy: -12.708 bonds (distance) P-C4' energy: -12.992 flat angles C4'-P-C4' energy: -12.473 flat angles P-C4'-P energy: -8.667 tors. eta vs tors. theta energy: -12.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -109.758324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.758324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.758324 (E_RNA) where: Base-Base interactions energy: -52.010 where: short stacking energy: -47.370 Base-Backbone interact. energy: -0.099 local terms energy: -57.648716 where: bonds (distance) C4'-P energy: -14.454 bonds (distance) P-C4' energy: -12.762 flat angles C4'-P-C4' energy: -10.941 flat angles P-C4'-P energy: -9.903 tors. eta vs tors. theta energy: -9.588 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: 5, replica: 3 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -102.347465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.347465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.347465 (E_RNA) where: Base-Base interactions energy: -49.736 where: short stacking energy: -49.736 Base-Backbone interact. energy: -0.006 local terms energy: -52.605413 where: bonds (distance) C4'-P energy: -8.796 bonds (distance) P-C4' energy: -12.325 flat angles C4'-P-C4' energy: -14.018 flat angles P-C4'-P energy: -5.261 tors. eta vs tors. theta energy: -12.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -89.544815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.544815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.544815 (E_RNA) where: Base-Base interactions energy: -39.918 where: short stacking energy: -39.918 Base-Backbone interact. energy: -0.080 local terms energy: -49.546873 where: bonds (distance) C4'-P energy: -9.673 bonds (distance) P-C4' energy: -12.649 flat angles C4'-P-C4' energy: -11.334 flat angles P-C4'-P energy: -8.757 tors. eta vs tors. theta energy: -7.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -91.264446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.264446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.264446 (E_RNA) where: Base-Base interactions energy: -50.078 where: short stacking energy: -37.681 Base-Backbone interact. energy: -0.492 local terms energy: -40.694922 where: bonds (distance) C4'-P energy: -12.683 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -11.981 flat angles P-C4'-P energy: -7.495 tors. eta vs tors. theta energy: -1.723 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: 8, replica: 10 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -86.601023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.601023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.601023 (E_RNA) where: Base-Base interactions energy: -37.725 where: short stacking energy: -37.725 Base-Backbone interact. energy: -0.053 local terms energy: -48.823051 where: bonds (distance) C4'-P energy: -11.415 bonds (distance) P-C4' energy: -12.465 flat angles C4'-P-C4' energy: -8.262 flat angles P-C4'-P energy: -7.758 tors. eta vs tors. theta energy: -8.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -80.513551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.513551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.513551 (E_RNA) where: Base-Base interactions energy: -30.644 where: short stacking energy: -26.884 Base-Backbone interact. energy: -0.182 local terms energy: -49.687553 where: bonds (distance) C4'-P energy: -10.918 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -11.807 flat angles P-C4'-P energy: -9.509 tors. eta vs tors. theta energy: -3.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -79.415741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.415741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.415741 (E_RNA) where: Base-Base interactions energy: -38.503 where: short stacking energy: -35.892 Base-Backbone interact. energy: 0.685 local terms energy: -41.598183 where: bonds (distance) C4'-P energy: -7.605 bonds (distance) P-C4' energy: -7.334 flat angles C4'-P-C4' energy: -11.662 flat angles P-C4'-P energy: -9.173 tors. eta vs tors. theta energy: -5.824 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: 7 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -161.031238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.031238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.031238 (E_RNA) where: Base-Base interactions energy: -99.853 where: short stacking energy: -66.385 Base-Backbone interact. energy: -0.037 local terms energy: -61.141138 where: bonds (distance) C4'-P energy: -11.829 bonds (distance) P-C4' energy: -13.346 flat angles C4'-P-C4' energy: -12.119 flat angles P-C4'-P energy: -9.657 tors. eta vs tors. theta energy: -14.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -158.505864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.505864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.505864 (E_RNA) where: Base-Base interactions energy: -94.652 where: short stacking energy: -56.048 Base-Backbone interact. energy: -0.000 local terms energy: -63.853163 where: bonds (distance) C4'-P energy: -9.457 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -15.513 flat angles P-C4'-P energy: -8.923 tors. eta vs tors. theta energy: -17.133 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: 3, replica: 8 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -132.045584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.045584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.045584 (E_RNA) where: Base-Base interactions energy: -76.648 where: short stacking energy: -52.936 Base-Backbone interact. energy: -0.983 local terms energy: -54.414734 where: bonds (distance) C4'-P energy: -9.871 bonds (distance) P-C4' energy: -12.747 flat angles C4'-P-C4' energy: -14.843 flat angles P-C4'-P energy: -7.305 tors. eta vs tors. theta energy: -9.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -99.017708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.017708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.017708 (E_RNA) where: Base-Base interactions energy: -53.197 where: short stacking energy: -35.933 Base-Backbone interact. energy: 0.037 local terms energy: -45.857565 where: bonds (distance) C4'-P energy: -10.646 bonds (distance) P-C4' energy: -15.016 flat angles C4'-P-C4' energy: -9.757 flat angles P-C4'-P energy: -7.416 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: 5, replica: 6 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -111.047222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.047222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.047222 (E_RNA) where: Base-Base interactions energy: -54.340 where: short stacking energy: -54.340 Base-Backbone interact. energy: -0.794 local terms energy: -55.913443 where: bonds (distance) C4'-P energy: -6.999 bonds (distance) P-C4' energy: -7.973 flat angles C4'-P-C4' energy: -14.949 flat angles P-C4'-P energy: -9.760 tors. eta vs tors. theta energy: -16.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -121.052280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.052280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.052280 (E_RNA) where: Base-Base interactions energy: -68.124 where: short stacking energy: -43.603 Base-Backbone interact. energy: -0.126 local terms energy: -52.802495 where: bonds (distance) C4'-P energy: -12.156 bonds (distance) P-C4' energy: -12.274 flat angles C4'-P-C4' energy: -10.887 flat angles P-C4'-P energy: -8.907 tors. eta vs tors. theta energy: -8.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -97.281635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.281635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.281635 (E_RNA) where: Base-Base interactions energy: -47.058 where: short stacking energy: -46.520 Base-Backbone interact. energy: -0.016 local terms energy: -50.207169 where: bonds (distance) C4'-P energy: -8.840 bonds (distance) P-C4' energy: -12.669 flat angles C4'-P-C4' energy: -10.160 flat angles P-C4'-P energy: -8.376 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: 8, replica: 9 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -91.726860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.726860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.726860 (E_RNA) where: Base-Base interactions energy: -50.291 where: short stacking energy: -48.149 Base-Backbone interact. energy: -0.205 local terms energy: -41.230903 where: bonds (distance) C4'-P energy: -10.882 bonds (distance) P-C4' energy: -7.738 flat angles C4'-P-C4' energy: -9.460 flat angles P-C4'-P energy: -4.563 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: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -89.342361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.342361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.342361 (E_RNA) where: Base-Base interactions energy: -39.945 where: short stacking energy: -39.824 Base-Backbone interact. energy: -0.109 local terms energy: -49.288831 where: bonds (distance) C4'-P energy: -10.935 bonds (distance) P-C4' energy: -12.641 flat angles C4'-P-C4' energy: -14.319 flat angles P-C4'-P energy: -0.376 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: 10, replica: 5 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -68.957939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.957939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.957939 (E_RNA) where: Base-Base interactions energy: -29.416 where: short stacking energy: -26.784 Base-Backbone interact. energy: -0.205 local terms energy: -39.336840 where: bonds (distance) C4'-P energy: -10.708 bonds (distance) P-C4' energy: -11.330 flat angles C4'-P-C4' energy: -10.700 flat angles P-C4'-P energy: -7.056 tors. eta vs tors. theta energy: 0.457 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: 4 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -162.700281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.700281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.700281 (E_RNA) where: Base-Base interactions energy: -98.861 where: short stacking energy: -65.831 Base-Backbone interact. energy: -0.008 local terms energy: -63.831487 where: bonds (distance) C4'-P energy: -13.995 bonds (distance) P-C4' energy: -13.811 flat angles C4'-P-C4' energy: -12.287 flat angles P-C4'-P energy: -8.622 tors. eta vs tors. theta energy: -15.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -151.650634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.650634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.650634 (E_RNA) where: Base-Base interactions energy: -84.931 where: short stacking energy: -44.818 Base-Backbone interact. energy: -0.002 local terms energy: -66.718126 where: bonds (distance) C4'-P energy: -13.859 bonds (distance) P-C4' energy: -14.290 flat angles C4'-P-C4' energy: -13.945 flat angles P-C4'-P energy: -12.641 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: 3, replica: 8 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -137.641384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.641384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.641384 (E_RNA) where: Base-Base interactions energy: -79.836 where: short stacking energy: -61.948 Base-Backbone interact. energy: -0.022 local terms energy: -57.783281 where: bonds (distance) C4'-P energy: -10.356 bonds (distance) P-C4' energy: -13.017 flat angles C4'-P-C4' energy: -14.258 flat angles P-C4'-P energy: -7.644 tors. eta vs tors. theta energy: -12.509 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: 16 Temperature: 1.050000 Total energy: -112.710212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.710212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.710212 (E_RNA) where: Base-Base interactions energy: -54.104 where: short stacking energy: -54.104 Base-Backbone interact. energy: -0.019 local terms energy: -58.586950 where: bonds (distance) C4'-P energy: -11.838 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -13.225 flat angles P-C4'-P energy: -8.969 tors. eta vs tors. theta energy: -9.660 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: 5, replica: 1 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -131.989950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.989950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.989950 (E_RNA) where: Base-Base interactions energy: -79.784 where: short stacking energy: -53.835 Base-Backbone interact. energy: -0.218 local terms energy: -51.987805 where: bonds (distance) C4'-P energy: -9.470 bonds (distance) P-C4' energy: -11.088 flat angles C4'-P-C4' energy: -11.060 flat angles P-C4'-P energy: -7.673 tors. eta vs tors. theta energy: -12.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -97.712234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.712234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.712234 (E_RNA) where: Base-Base interactions energy: -41.092 where: short stacking energy: -41.092 Base-Backbone interact. energy: -0.069 local terms energy: -56.551131 where: bonds (distance) C4'-P energy: -10.322 bonds (distance) P-C4' energy: -15.657 flat angles C4'-P-C4' energy: -14.104 flat angles P-C4'-P energy: -8.927 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: 7, replica: 9 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -77.543695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.543695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.543695 (E_RNA) where: Base-Base interactions energy: -34.881 where: short stacking energy: -29.330 Base-Backbone interact. energy: 0.429 local terms energy: -43.091995 where: bonds (distance) C4'-P energy: -13.497 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -6.297 flat angles P-C4'-P energy: -6.214 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: 8, replica: 2 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -87.894579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.894579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.894579 (E_RNA) where: Base-Base interactions energy: -37.558 where: short stacking energy: -37.080 Base-Backbone interact. energy: -0.093 local terms energy: -50.243973 where: bonds (distance) C4'-P energy: -6.791 bonds (distance) P-C4' energy: -10.823 flat angles C4'-P-C4' energy: -14.719 flat angles P-C4'-P energy: -7.187 tors. eta vs tors. theta energy: -10.725 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: 9, replica: 5 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -74.982846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.982846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.982846 (E_RNA) where: Base-Base interactions energy: -40.287 where: short stacking energy: -35.392 Base-Backbone interact. energy: -1.510 local terms energy: -33.185900 where: bonds (distance) C4'-P energy: -9.366 bonds (distance) P-C4' energy: -9.987 flat angles C4'-P-C4' energy: -10.862 flat angles P-C4'-P energy: -2.336 tors. eta vs tors. theta energy: -0.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -75.317715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.317715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.317715 (E_RNA) where: Base-Base interactions energy: -38.393 where: short stacking energy: -30.268 Base-Backbone interact. energy: -0.144 local terms energy: -36.780982 where: bonds (distance) C4'-P energy: -8.590 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -6.595 flat angles P-C4'-P energy: -3.342 tors. eta vs tors. theta energy: -5.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -151.536687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.536687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.536687 (E_RNA) where: Base-Base interactions energy: -86.408 where: short stacking energy: -60.476 Base-Backbone interact. energy: -0.058 local terms energy: -65.070897 where: bonds (distance) C4'-P energy: -14.980 bonds (distance) P-C4' energy: -15.020 flat angles C4'-P-C4' energy: -14.391 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: -14.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -150.376061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.376061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.376061 (E_RNA) where: Base-Base interactions energy: -89.195 where: short stacking energy: -59.784 Base-Backbone interact. energy: -0.681 local terms energy: -60.500107 where: bonds (distance) C4'-P energy: -12.578 bonds (distance) P-C4' energy: -11.823 flat angles C4'-P-C4' energy: -14.140 flat angles P-C4'-P energy: -8.920 tors. eta vs tors. theta energy: -13.038 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: 8 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -141.199890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.199890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.199890 (E_RNA) where: Base-Base interactions energy: -76.804 where: short stacking energy: -51.027 Base-Backbone interact. energy: -0.342 local terms energy: -64.053816 where: bonds (distance) C4'-P energy: -13.552 bonds (distance) P-C4' energy: -14.151 flat angles C4'-P-C4' energy: -12.828 flat angles P-C4'-P energy: -10.717 tors. eta vs tors. theta energy: -12.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -127.429411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.429411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.429411 (E_RNA) where: Base-Base interactions energy: -74.506 where: short stacking energy: -45.031 Base-Backbone interact. energy: -0.262 local terms energy: -52.661067 where: bonds (distance) C4'-P energy: -13.329 bonds (distance) P-C4' energy: -10.167 flat angles C4'-P-C4' energy: -14.921 flat angles P-C4'-P energy: -4.461 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: 5, replica: 3 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -103.493814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.493814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.493814 (E_RNA) where: Base-Base interactions energy: -45.259 where: short stacking energy: -45.894 Base-Backbone interact. energy: -1.441 local terms energy: -56.793930 where: bonds (distance) C4'-P energy: -13.237 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -13.402 flat angles P-C4'-P energy: -6.946 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: 6, replica: 6 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -108.481031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.481031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.481031 (E_RNA) where: Base-Base interactions energy: -50.002 where: short stacking energy: -50.002 Base-Backbone interact. energy: -0.000 local terms energy: -58.479137 where: bonds (distance) C4'-P energy: -10.459 bonds (distance) P-C4' energy: -11.739 flat angles C4'-P-C4' energy: -13.487 flat angles P-C4'-P energy: -8.767 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: 7, replica: 9 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -87.595304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.595304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.595304 (E_RNA) where: Base-Base interactions energy: -37.462 where: short stacking energy: -35.608 Base-Backbone interact. energy: -1.969 local terms energy: -48.164579 where: bonds (distance) C4'-P energy: -13.146 bonds (distance) P-C4' energy: -10.793 flat angles C4'-P-C4' energy: -8.094 flat angles P-C4'-P energy: -10.447 tors. eta vs tors. theta energy: -5.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -79.588805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.588805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.588805 (E_RNA) where: Base-Base interactions energy: -38.055 where: short stacking energy: -28.417 Base-Backbone interact. energy: -0.125 local terms energy: -41.409032 where: bonds (distance) C4'-P energy: -13.066 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -8.500 tors. eta vs tors. theta energy: -0.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -89.927283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.927283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.927283 (E_RNA) where: Base-Base interactions energy: -46.814 where: short stacking energy: -46.814 Base-Backbone interact. energy: -0.019 local terms energy: -43.094418 where: bonds (distance) C4'-P energy: -5.673 bonds (distance) P-C4' energy: -13.135 flat angles C4'-P-C4' energy: -12.008 flat angles P-C4'-P energy: -6.673 tors. eta vs tors. theta energy: -5.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -70.524044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.524044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.524044 (E_RNA) where: Base-Base interactions energy: -25.829 where: short stacking energy: -21.708 Base-Backbone interact. energy: -0.158 local terms energy: -44.537058 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -13.327 flat angles C4'-P-C4' energy: -10.465 flat angles P-C4'-P energy: -10.870 tors. eta vs tors. theta energy: -1.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -162.482145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.482145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.482145 (E_RNA) where: Base-Base interactions energy: -97.833 where: short stacking energy: -66.300 Base-Backbone interact. energy: -0.042 local terms energy: -64.607964 where: bonds (distance) C4'-P energy: -14.475 bonds (distance) P-C4' energy: -10.937 flat angles C4'-P-C4' energy: -16.415 flat angles P-C4'-P energy: -10.131 tors. eta vs tors. theta energy: -12.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -145.913769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.913769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.913769 (E_RNA) where: Base-Base interactions energy: -86.613 where: short stacking energy: -54.346 Base-Backbone interact. energy: -0.013 local terms energy: -59.287712 where: bonds (distance) C4'-P energy: -11.457 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -12.862 flat angles P-C4'-P energy: -9.362 tors. eta vs tors. theta energy: -12.268 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: 1 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -147.623292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.623292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.623292 (E_RNA) where: Base-Base interactions energy: -88.575 where: short stacking energy: -55.419 Base-Backbone interact. energy: -0.021 local terms energy: -59.027116 where: bonds (distance) C4'-P energy: -13.017 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -10.579 flat angles P-C4'-P energy: -6.854 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: 8 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -116.560586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.560586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.560586 (E_RNA) where: Base-Base interactions energy: -68.882 where: short stacking energy: -45.803 Base-Backbone interact. energy: -0.164 local terms energy: -47.514625 where: bonds (distance) C4'-P energy: -12.679 bonds (distance) P-C4' energy: -11.143 flat angles C4'-P-C4' energy: -12.721 flat angles P-C4'-P energy: -5.258 tors. eta vs tors. theta energy: -5.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -103.567157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.567157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.567157 (E_RNA) where: Base-Base interactions energy: -52.842 where: short stacking energy: -49.375 Base-Backbone interact. energy: -0.099 local terms energy: -50.626327 where: bonds (distance) C4'-P energy: -9.652 bonds (distance) P-C4' energy: -12.539 flat angles C4'-P-C4' energy: -12.291 flat angles P-C4'-P energy: -5.990 tors. eta vs tors. theta energy: -10.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -98.518873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.518873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.518873 (E_RNA) where: Base-Base interactions energy: -49.970 where: short stacking energy: -39.423 Base-Backbone interact. energy: 0.048 local terms energy: -48.596339 where: bonds (distance) C4'-P energy: -8.518 bonds (distance) P-C4' energy: -12.306 flat angles C4'-P-C4' energy: -13.143 flat angles P-C4'-P energy: -6.753 tors. eta vs tors. theta energy: -7.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -84.719287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.719287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.719287 (E_RNA) where: Base-Base interactions energy: -32.651 where: short stacking energy: -29.981 Base-Backbone interact. energy: -0.162 local terms energy: -51.906419 where: bonds (distance) C4'-P energy: -13.969 bonds (distance) P-C4' energy: -15.252 flat angles C4'-P-C4' energy: -13.940 flat angles P-C4'-P energy: -6.613 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: 8, replica: 9 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -81.480818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.480818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.480818 (E_RNA) where: Base-Base interactions energy: -29.088 where: short stacking energy: -28.042 Base-Backbone interact. energy: -0.127 local terms energy: -52.265889 where: bonds (distance) C4'-P energy: -13.166 bonds (distance) P-C4' energy: -14.718 flat angles C4'-P-C4' energy: -11.196 flat angles P-C4'-P energy: -8.681 tors. eta vs tors. theta energy: -4.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -79.486858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.486858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.486858 (E_RNA) where: Base-Base interactions energy: -38.316 where: short stacking energy: -32.366 Base-Backbone interact. energy: 1.061 local terms energy: -42.231791 where: bonds (distance) C4'-P energy: -10.099 bonds (distance) P-C4' energy: -12.799 flat angles C4'-P-C4' energy: -10.833 flat angles P-C4'-P energy: -6.516 tors. eta vs tors. theta energy: -1.985 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: 2 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -73.911902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.911902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.911902 (E_RNA) where: Base-Base interactions energy: -33.909 where: short stacking energy: -33.909 Base-Backbone interact. energy: 0.942 local terms energy: -40.945162 where: bonds (distance) C4'-P energy: -7.043 bonds (distance) P-C4' energy: -16.028 flat angles C4'-P-C4' energy: -6.684 flat angles P-C4'-P energy: -6.076 tors. eta vs tors. theta energy: -5.114 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: 7 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -167.205724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.205724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.205724 (E_RNA) where: Base-Base interactions energy: -103.611 where: short stacking energy: -58.548 Base-Backbone interact. energy: 0.154 local terms energy: -63.749031 where: bonds (distance) C4'-P energy: -15.129 bonds (distance) P-C4' energy: -11.316 flat angles C4'-P-C4' energy: -15.638 flat angles P-C4'-P energy: -8.278 tors. eta vs tors. theta energy: -13.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -152.702831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.702831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.702831 (E_RNA) where: Base-Base interactions energy: -90.718 where: short stacking energy: -60.098 Base-Backbone interact. energy: -0.114 local terms energy: -61.871184 where: bonds (distance) C4'-P energy: -9.812 bonds (distance) P-C4' energy: -14.152 flat angles C4'-P-C4' energy: -15.151 flat angles P-C4'-P energy: -10.448 tors. eta vs tors. theta energy: -12.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -148.421129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.421129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.421129 (E_RNA) where: Base-Base interactions energy: -83.960 where: short stacking energy: -54.798 Base-Backbone interact. energy: -0.004 local terms energy: -64.457356 where: bonds (distance) C4'-P energy: -12.069 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -12.567 flat angles P-C4'-P energy: -10.059 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: 4, replica: 6 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -102.137953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.137953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.137953 (E_RNA) where: Base-Base interactions energy: -46.423 where: short stacking energy: -45.083 Base-Backbone interact. energy: -0.092 local terms energy: -55.623084 where: bonds (distance) C4'-P energy: -11.254 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -12.024 flat angles P-C4'-P energy: -7.065 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: 5, replica: 8 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -105.071729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.071729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.071729 (E_RNA) where: Base-Base interactions energy: -49.669 where: short stacking energy: -49.417 Base-Backbone interact. energy: -0.045 local terms energy: -55.357365 where: bonds (distance) C4'-P energy: -11.042 bonds (distance) P-C4' energy: -12.612 flat angles C4'-P-C4' energy: -10.585 flat angles P-C4'-P energy: -8.268 tors. eta vs tors. theta energy: -12.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -98.746436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.746436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.746436 (E_RNA) where: Base-Base interactions energy: -43.497 where: short stacking energy: -43.497 Base-Backbone interact. energy: -0.000 local terms energy: -55.249494 where: bonds (distance) C4'-P energy: -9.267 bonds (distance) P-C4' energy: -15.531 flat angles C4'-P-C4' energy: -14.004 flat angles P-C4'-P energy: -5.695 tors. eta vs tors. theta energy: -10.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -96.749790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.749790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.749790 (E_RNA) where: Base-Base interactions energy: -39.471 where: short stacking energy: -38.959 Base-Backbone interact. energy: -0.020 local terms energy: -57.258747 where: bonds (distance) C4'-P energy: -12.628 bonds (distance) P-C4' energy: -11.216 flat angles C4'-P-C4' energy: -13.167 flat angles P-C4'-P energy: -10.973 tors. eta vs tors. theta energy: -9.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -73.329181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.329181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.329181 (E_RNA) where: Base-Base interactions energy: -33.853 where: short stacking energy: -25.363 Base-Backbone interact. energy: -0.036 local terms energy: -39.440573 where: bonds (distance) C4'-P energy: -12.994 bonds (distance) P-C4' energy: -11.894 flat angles C4'-P-C4' energy: -8.041 flat angles P-C4'-P energy: -9.352 tors. eta vs tors. theta energy: 2.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -80.432596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.432596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.432596 (E_RNA) where: Base-Base interactions energy: -32.323 where: short stacking energy: -32.323 Base-Backbone interact. energy: -0.243 local terms energy: -47.866810 where: bonds (distance) C4'-P energy: -11.597 bonds (distance) P-C4' energy: -13.247 flat angles C4'-P-C4' energy: -11.627 flat angles P-C4'-P energy: -7.582 tors. eta vs tors. theta energy: -3.814 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: 2 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -75.917111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.917111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.917111 (E_RNA) where: Base-Base interactions energy: -33.672 where: short stacking energy: -30.539 Base-Backbone interact. energy: -0.610 local terms energy: -41.635379 where: bonds (distance) C4'-P energy: -11.288 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -11.511 flat angles P-C4'-P energy: -4.600 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: 1, replica: 1 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -148.463258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.463258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.463258 (E_RNA) where: Base-Base interactions energy: -90.423 where: short stacking energy: -52.562 Base-Backbone interact. energy: -0.013 local terms energy: -58.027045 where: bonds (distance) C4'-P energy: -14.050 bonds (distance) P-C4' energy: -13.126 flat angles C4'-P-C4' energy: -13.928 flat angles P-C4'-P energy: -7.768 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: 2, replica: 7 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -169.759752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.759752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.759752 (E_RNA) where: Base-Base interactions energy: -107.948 where: short stacking energy: -57.782 Base-Backbone interact. energy: -0.006 local terms energy: -61.805523 where: bonds (distance) C4'-P energy: -11.204 bonds (distance) P-C4' energy: -15.799 flat angles C4'-P-C4' energy: -9.410 flat angles P-C4'-P energy: -8.374 tors. eta vs tors. theta energy: -17.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -117.249697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.249697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.249697 (E_RNA) where: Base-Base interactions energy: -54.664 where: short stacking energy: -54.664 Base-Backbone interact. energy: -0.120 local terms energy: -62.465362 where: bonds (distance) C4'-P energy: -15.344 bonds (distance) P-C4' energy: -12.765 flat angles C4'-P-C4' energy: -11.969 flat angles P-C4'-P energy: -11.086 tors. eta vs tors. theta energy: -11.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -140.132466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.132466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.132466 (E_RNA) where: Base-Base interactions energy: -84.157 where: short stacking energy: -46.375 Base-Backbone interact. energy: -0.100 local terms energy: -55.874862 where: bonds (distance) C4'-P energy: -13.846 bonds (distance) P-C4' energy: -13.350 flat angles C4'-P-C4' energy: -14.262 flat angles P-C4'-P energy: -5.292 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: 5, replica: 5 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -103.811045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.811045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.811045 (E_RNA) where: Base-Base interactions energy: -45.178 where: short stacking energy: -45.178 Base-Backbone interact. energy: -0.069 local terms energy: -58.564010 where: bonds (distance) C4'-P energy: -12.893 bonds (distance) P-C4' energy: -14.982 flat angles C4'-P-C4' energy: -13.778 flat angles P-C4'-P energy: -7.120 tors. eta vs tors. theta energy: -9.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -90.407516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.407516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.407516 (E_RNA) where: Base-Base interactions energy: -44.686 where: short stacking energy: -39.150 Base-Backbone interact. energy: 1.329 local terms energy: -47.050434 where: bonds (distance) C4'-P energy: -10.178 bonds (distance) P-C4' energy: -11.253 flat angles C4'-P-C4' energy: -9.006 flat angles P-C4'-P energy: -10.560 tors. eta vs tors. theta energy: -6.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -88.314649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.314649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.314649 (E_RNA) where: Base-Base interactions energy: -33.135 where: short stacking energy: -31.040 Base-Backbone interact. energy: -0.001 local terms energy: -55.179138 where: bonds (distance) C4'-P energy: -12.441 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -12.373 flat angles P-C4'-P energy: -9.189 tors. eta vs tors. theta energy: -5.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -91.963820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.963820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.963820 (E_RNA) where: Base-Base interactions energy: -45.566 where: short stacking energy: -41.013 Base-Backbone interact. energy: -0.047 local terms energy: -46.350381 where: bonds (distance) C4'-P energy: -10.600 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -14.389 flat angles P-C4'-P energy: -3.620 tors. eta vs tors. theta energy: -8.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -82.605378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.605378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.605378 (E_RNA) where: Base-Base interactions energy: -31.892 where: short stacking energy: -30.764 Base-Backbone interact. energy: -1.344 local terms energy: -49.369618 where: bonds (distance) C4'-P energy: -13.894 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -11.422 flat angles P-C4'-P energy: -8.894 tors. eta vs tors. theta energy: -1.001 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: 2 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -69.428805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.428805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.428805 (E_RNA) where: Base-Base interactions energy: -28.408 where: short stacking energy: -28.392 Base-Backbone interact. energy: -0.105 local terms energy: -40.916141 where: bonds (distance) C4'-P energy: -12.244 bonds (distance) P-C4' energy: -12.214 flat angles C4'-P-C4' energy: -7.743 flat angles P-C4'-P energy: -8.293 tors. eta vs tors. theta energy: -0.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -145.508983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.508983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.508983 (E_RNA) where: Base-Base interactions energy: -83.792 where: short stacking energy: -44.704 Base-Backbone interact. energy: -0.270 local terms energy: -61.447520 where: bonds (distance) C4'-P energy: -13.286 bonds (distance) P-C4' energy: -13.420 flat angles C4'-P-C4' energy: -13.257 flat angles P-C4'-P energy: -11.087 tors. eta vs tors. theta energy: -10.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -165.163328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.163328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.163328 (E_RNA) where: Base-Base interactions energy: -99.169 where: short stacking energy: -60.151 Base-Backbone interact. energy: -0.002 local terms energy: -65.992226 where: bonds (distance) C4'-P energy: -12.392 bonds (distance) P-C4' energy: -16.035 flat angles C4'-P-C4' energy: -15.016 flat angles P-C4'-P energy: -8.952 tors. eta vs tors. theta energy: -13.597 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: 3, replica: 6 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -115.098763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.098763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.098763 (E_RNA) where: Base-Base interactions energy: -54.013 where: short stacking energy: -54.013 Base-Backbone interact. energy: -0.003 local terms energy: -61.082753 where: bonds (distance) C4'-P energy: -11.689 bonds (distance) P-C4' energy: -13.166 flat angles C4'-P-C4' energy: -13.126 flat angles P-C4'-P energy: -11.132 tors. eta vs tors. theta energy: -11.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -144.172857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.172857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.172857 (E_RNA) where: Base-Base interactions energy: -87.564 where: short stacking energy: -55.423 Base-Backbone interact. energy: -0.000 local terms energy: -56.608705 where: bonds (distance) C4'-P energy: -14.322 bonds (distance) P-C4' energy: -10.823 flat angles C4'-P-C4' energy: -13.534 flat angles P-C4'-P energy: -6.911 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: 5, replica: 5 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -116.594597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.594597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.594597 (E_RNA) where: Base-Base interactions energy: -60.247 where: short stacking energy: -48.611 Base-Backbone interact. energy: 0.405 local terms energy: -56.753161 where: bonds (distance) C4'-P energy: -11.785 bonds (distance) P-C4' energy: -13.458 flat angles C4'-P-C4' energy: -13.315 flat angles P-C4'-P energy: -8.011 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: 6, replica: 10 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -95.937566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.937566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.937566 (E_RNA) where: Base-Base interactions energy: -51.049 where: short stacking energy: -45.730 Base-Backbone interact. energy: -0.007 local terms energy: -44.881481 where: bonds (distance) C4'-P energy: -13.746 bonds (distance) P-C4' energy: -8.238 flat angles C4'-P-C4' energy: -11.624 flat angles P-C4'-P energy: -7.070 tors. eta vs tors. theta energy: -4.203 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: 8 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -88.851079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.851079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.851079 (E_RNA) where: Base-Base interactions energy: -45.792 where: short stacking energy: -36.508 Base-Backbone interact. energy: -0.045 local terms energy: -43.014211 where: bonds (distance) C4'-P energy: -13.660 bonds (distance) P-C4' energy: -12.867 flat angles C4'-P-C4' energy: -8.670 flat angles P-C4'-P energy: -3.768 tors. eta vs tors. theta energy: -4.049 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: 9 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -76.287402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.287402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.287402 (E_RNA) where: Base-Base interactions energy: -32.383 where: short stacking energy: -30.693 Base-Backbone interact. energy: -0.192 local terms energy: -43.713193 where: bonds (distance) C4'-P energy: -12.269 bonds (distance) P-C4' energy: -7.831 flat angles C4'-P-C4' energy: -13.538 flat angles P-C4'-P energy: -10.885 tors. eta vs tors. theta energy: 0.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -86.890624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.890624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.890624 (E_RNA) where: Base-Base interactions energy: -35.234 where: short stacking energy: -31.237 Base-Backbone interact. energy: -0.062 local terms energy: -51.594313 where: bonds (distance) C4'-P energy: -9.479 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -7.457 flat angles P-C4'-P energy: -8.633 tors. eta vs tors. theta energy: -11.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -74.132046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.132046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.132046 (E_RNA) where: Base-Base interactions energy: -35.896 where: short stacking energy: -35.896 Base-Backbone interact. energy: -0.082 local terms energy: -38.154578 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -11.383 flat angles P-C4'-P energy: 2.772 tors. eta vs tors. theta energy: -2.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -151.465391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.465391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.465391 (E_RNA) where: Base-Base interactions energy: -90.718 where: short stacking energy: -56.462 Base-Backbone interact. energy: -0.077 local terms energy: -60.671014 where: bonds (distance) C4'-P energy: -14.119 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -12.428 flat angles P-C4'-P energy: -9.714 tors. eta vs tors. theta energy: -9.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -157.872280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.872280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.872280 (E_RNA) where: Base-Base interactions energy: -97.398 where: short stacking energy: -61.330 Base-Backbone interact. energy: -0.470 local terms energy: -60.004592 where: bonds (distance) C4'-P energy: -13.296 bonds (distance) P-C4' energy: -13.329 flat angles C4'-P-C4' energy: -12.843 flat angles P-C4'-P energy: -9.044 tors. eta vs tors. theta energy: -11.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -131.938005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.938005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.938005 (E_RNA) where: Base-Base interactions energy: -77.627 where: short stacking energy: -45.544 Base-Backbone interact. energy: -0.006 local terms energy: -54.305339 where: bonds (distance) C4'-P energy: -12.601 bonds (distance) P-C4' energy: -12.704 flat angles C4'-P-C4' energy: -12.845 flat angles P-C4'-P energy: -5.250 tors. eta vs tors. theta energy: -10.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -108.601831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.601831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.601831 (E_RNA) where: Base-Base interactions energy: -49.605 where: short stacking energy: -49.605 Base-Backbone interact. energy: -0.001 local terms energy: -58.995781 where: bonds (distance) C4'-P energy: -14.727 bonds (distance) P-C4' energy: -15.706 flat angles C4'-P-C4' energy: -10.165 flat angles P-C4'-P energy: -8.038 tors. eta vs tors. theta energy: -10.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -112.441249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.441249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.441249 (E_RNA) where: Base-Base interactions energy: -51.441 where: short stacking energy: -51.441 Base-Backbone interact. energy: -0.052 local terms energy: -60.948505 where: bonds (distance) C4'-P energy: -11.909 bonds (distance) P-C4' energy: -8.712 flat angles C4'-P-C4' energy: -15.225 flat angles P-C4'-P energy: -13.222 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: 10 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -116.331612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.331612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.331612 (E_RNA) where: Base-Base interactions energy: -64.136 where: short stacking energy: -41.552 Base-Backbone interact. energy: -0.187 local terms energy: -52.008834 where: bonds (distance) C4'-P energy: -12.006 bonds (distance) P-C4' energy: -12.657 flat angles C4'-P-C4' energy: -11.278 flat angles P-C4'-P energy: -8.912 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: 9 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -82.350451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.350451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.350451 (E_RNA) where: Base-Base interactions energy: -38.858 where: short stacking energy: -38.858 Base-Backbone interact. energy: 0.411 local terms energy: -43.904127 where: bonds (distance) C4'-P energy: -10.139 bonds (distance) P-C4' energy: -9.736 flat angles C4'-P-C4' energy: -9.161 flat angles P-C4'-P energy: -8.894 tors. eta vs tors. theta energy: -5.974 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: 8, replica: 8 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -90.471640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.471640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.471640 (E_RNA) where: Base-Base interactions energy: -44.059 where: short stacking energy: -30.362 Base-Backbone interact. energy: -0.797 local terms energy: -45.615239 where: bonds (distance) C4'-P energy: -9.780 bonds (distance) P-C4' energy: -14.037 flat angles C4'-P-C4' energy: -11.022 flat angles P-C4'-P energy: -7.111 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: 9, replica: 2 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -77.821812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.821812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.821812 (E_RNA) where: Base-Base interactions energy: -33.532 where: short stacking energy: -33.532 Base-Backbone interact. energy: -0.119 local terms energy: -44.170466 where: bonds (distance) C4'-P energy: -9.416 bonds (distance) P-C4' energy: -13.029 flat angles C4'-P-C4' energy: -12.882 flat angles P-C4'-P energy: -4.804 tors. eta vs tors. theta energy: -4.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -88.243229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.243229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.243229 (E_RNA) where: Base-Base interactions energy: -42.959 where: short stacking energy: -42.313 Base-Backbone interact. energy: -0.055 local terms energy: -45.229312 where: bonds (distance) C4'-P energy: -9.147 bonds (distance) P-C4' energy: -11.917 flat angles C4'-P-C4' energy: -11.816 flat angles P-C4'-P energy: -4.276 tors. eta vs tors. theta energy: -8.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -160.456849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.456849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.456849 (E_RNA) where: Base-Base interactions energy: -97.737 where: short stacking energy: -68.186 Base-Backbone interact. energy: -0.469 local terms energy: -62.250900 where: bonds (distance) C4'-P energy: -10.840 bonds (distance) P-C4' energy: -13.490 flat angles C4'-P-C4' energy: -12.827 flat angles P-C4'-P energy: -8.032 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: 2, replica: 7 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -156.091002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.091002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.091002 (E_RNA) where: Base-Base interactions energy: -97.758 where: short stacking energy: -54.924 Base-Backbone interact. energy: 0.212 local terms energy: -58.545274 where: bonds (distance) C4'-P energy: -11.644 bonds (distance) P-C4' energy: -13.257 flat angles C4'-P-C4' energy: -13.631 flat angles P-C4'-P energy: -9.273 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: 4 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -153.898506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.898506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.898506 (E_RNA) where: Base-Base interactions energy: -88.171 where: short stacking energy: -57.014 Base-Backbone interact. energy: -0.010 local terms energy: -65.717521 where: bonds (distance) C4'-P energy: -13.871 bonds (distance) P-C4' energy: -14.798 flat angles C4'-P-C4' energy: -14.082 flat angles P-C4'-P energy: -8.204 tors. eta vs tors. theta energy: -14.763 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: 23 Temperature: 1.050000 Total energy: -103.556106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.556106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.556106 (E_RNA) where: Base-Base interactions energy: -43.905 where: short stacking energy: -42.101 Base-Backbone interact. energy: -0.177 local terms energy: -59.474269 where: bonds (distance) C4'-P energy: -14.616 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -14.450 flat angles P-C4'-P energy: -9.310 tors. eta vs tors. theta energy: -7.400 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: 23 Temperature: 1.100000 Total energy: -100.122276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.122276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.122276 (E_RNA) where: Base-Base interactions energy: -50.674 where: short stacking energy: -44.619 Base-Backbone interact. energy: -0.330 local terms energy: -49.117779 where: bonds (distance) C4'-P energy: -13.640 bonds (distance) P-C4' energy: -12.363 flat angles C4'-P-C4' energy: -9.789 flat angles P-C4'-P energy: -7.150 tors. eta vs tors. theta energy: -6.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -105.745627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.745627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.745627 (E_RNA) where: Base-Base interactions energy: -62.382 where: short stacking energy: -34.975 Base-Backbone interact. energy: -0.018 local terms energy: -43.346233 where: bonds (distance) C4'-P energy: -6.331 bonds (distance) P-C4' energy: -13.771 flat angles C4'-P-C4' energy: -8.042 flat angles P-C4'-P energy: -9.358 tors. eta vs tors. theta energy: -5.845 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: 23 Temperature: 1.200000 Total energy: -82.816337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.816337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.816337 (E_RNA) where: Base-Base interactions energy: -34.429 where: short stacking energy: -33.384 Base-Backbone interact. energy: -0.526 local terms energy: -47.861793 where: bonds (distance) C4'-P energy: -11.511 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -10.630 flat angles P-C4'-P energy: -7.455 tors. eta vs tors. theta energy: -2.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -83.896387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.896387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.896387 (E_RNA) where: Base-Base interactions energy: -36.748 where: short stacking energy: -36.748 Base-Backbone interact. energy: -0.021 local terms energy: -47.127128 where: bonds (distance) C4'-P energy: -14.334 bonds (distance) P-C4' energy: -10.499 flat angles C4'-P-C4' energy: -13.022 flat angles P-C4'-P energy: -3.737 tors. eta vs tors. theta energy: -5.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -69.021666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.021666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.021666 (E_RNA) where: Base-Base interactions energy: -24.172 where: short stacking energy: -23.755 Base-Backbone interact. energy: -0.437 local terms energy: -44.412593 where: bonds (distance) C4'-P energy: -13.651 bonds (distance) P-C4' energy: -12.394 flat angles C4'-P-C4' energy: -9.832 flat angles P-C4'-P energy: -2.509 tors. eta vs tors. theta energy: -6.027 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: 3 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -83.198555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.198555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.198555 (E_RNA) where: Base-Base interactions energy: -32.219 where: short stacking energy: -32.219 Base-Backbone interact. energy: -0.002 local terms energy: -50.978388 where: bonds (distance) C4'-P energy: -12.907 bonds (distance) P-C4' energy: -12.128 flat angles C4'-P-C4' energy: -10.685 flat angles P-C4'-P energy: -8.298 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: 1, replica: 7 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -141.962072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.962072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.962072 (E_RNA) where: Base-Base interactions energy: -88.388 where: short stacking energy: -57.402 Base-Backbone interact. energy: -0.004 local terms energy: -53.570684 where: bonds (distance) C4'-P energy: -12.336 bonds (distance) P-C4' energy: -14.042 flat angles C4'-P-C4' energy: -10.142 flat angles P-C4'-P energy: -8.989 tors. eta vs tors. theta energy: -8.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -155.674186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.674186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.674186 (E_RNA) where: Base-Base interactions energy: -88.014 where: short stacking energy: -59.695 Base-Backbone interact. energy: -0.002 local terms energy: -67.657860 where: bonds (distance) C4'-P energy: -13.067 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -12.229 flat angles P-C4'-P energy: -11.437 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: 3, replica: 4 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -153.359641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.359641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.359641 (E_RNA) where: Base-Base interactions energy: -90.217 where: short stacking energy: -57.684 Base-Backbone interact. energy: -0.000 local terms energy: -63.142068 where: bonds (distance) C4'-P energy: -11.776 bonds (distance) P-C4' energy: -15.337 flat angles C4'-P-C4' energy: -13.076 flat angles P-C4'-P energy: -7.875 tors. eta vs tors. theta energy: -15.077 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: 4, replica: 6 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -114.865543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.865543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.865543 (E_RNA) where: Base-Base interactions energy: -57.071 where: short stacking energy: -55.088 Base-Backbone interact. energy: -0.012 local terms energy: -57.782348 where: bonds (distance) C4'-P energy: -10.347 bonds (distance) P-C4' energy: -7.453 flat angles C4'-P-C4' energy: -16.714 flat angles P-C4'-P energy: -6.094 tors. eta vs tors. theta energy: -17.174 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: 5 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -115.592629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.592629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.592629 (E_RNA) where: Base-Base interactions energy: -57.572 where: short stacking energy: -40.203 Base-Backbone interact. energy: -0.117 local terms energy: -57.903709 where: bonds (distance) C4'-P energy: -10.270 bonds (distance) P-C4' energy: -15.784 flat angles C4'-P-C4' energy: -15.070 flat angles P-C4'-P energy: -7.345 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: 6, replica: 10 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -102.219466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.219466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.219466 (E_RNA) where: Base-Base interactions energy: -57.121 where: short stacking energy: -43.625 Base-Backbone interact. energy: -0.482 local terms energy: -44.616753 where: bonds (distance) C4'-P energy: -9.540 bonds (distance) P-C4' energy: -10.550 flat angles C4'-P-C4' energy: -11.055 flat angles P-C4'-P energy: -7.596 tors. eta vs tors. theta energy: -5.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -92.943465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.943465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.943465 (E_RNA) where: Base-Base interactions energy: -42.472 where: short stacking energy: -42.472 Base-Backbone interact. energy: -0.043 local terms energy: -50.428271 where: bonds (distance) C4'-P energy: -10.480 bonds (distance) P-C4' energy: -10.927 flat angles C4'-P-C4' energy: -13.600 flat angles P-C4'-P energy: -8.600 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: 2 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -91.354706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.354706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.354706 (E_RNA) where: Base-Base interactions energy: -38.758 where: short stacking energy: -36.849 Base-Backbone interact. energy: -0.180 local terms energy: -52.416717 where: bonds (distance) C4'-P energy: -9.134 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -14.320 flat angles P-C4'-P energy: -6.950 tors. eta vs tors. theta energy: -6.243 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: 24 Temperature: 1.300000 Total energy: -75.744448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.744448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.744448 (E_RNA) where: Base-Base interactions energy: -33.096 where: short stacking energy: -23.647 Base-Backbone interact. energy: -0.160 local terms energy: -42.487890 where: bonds (distance) C4'-P energy: -9.752 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -10.831 flat angles P-C4'-P energy: -10.528 tors. eta vs tors. theta energy: 3.723 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: 24 Temperature: 1.350000 Total energy: -71.923386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.923386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.923386 (E_RNA) where: Base-Base interactions energy: -30.264 where: short stacking energy: -24.615 Base-Backbone interact. energy: -0.389 local terms energy: -41.269715 where: bonds (distance) C4'-P energy: -5.367 bonds (distance) P-C4' energy: -14.976 flat angles C4'-P-C4' energy: -8.560 flat angles P-C4'-P energy: -9.939 tors. eta vs tors. theta energy: -2.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -150.149705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.149705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.149705 (E_RNA) where: Base-Base interactions energy: -88.789 where: short stacking energy: -60.196 Base-Backbone interact. energy: -0.178 local terms energy: -61.182573 where: bonds (distance) C4'-P energy: -10.297 bonds (distance) P-C4' energy: -13.388 flat angles C4'-P-C4' energy: -15.559 flat angles P-C4'-P energy: -11.756 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: 2, replica: 4 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -161.280437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.280437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.280437 (E_RNA) where: Base-Base interactions energy: -95.403 where: short stacking energy: -66.623 Base-Backbone interact. energy: 0.360 local terms energy: -66.237850 where: bonds (distance) C4'-P energy: -14.521 bonds (distance) P-C4' energy: -13.268 flat angles C4'-P-C4' energy: -14.612 flat angles P-C4'-P energy: -8.169 tors. eta vs tors. theta energy: -15.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -150.186589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.186589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.186589 (E_RNA) where: Base-Base interactions energy: -94.482 where: short stacking energy: -58.843 Base-Backbone interact. energy: -0.003 local terms energy: -55.701361 where: bonds (distance) C4'-P energy: -10.501 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -10.332 flat angles P-C4'-P energy: -8.821 tors. eta vs tors. theta energy: -12.336 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: 6 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -122.262391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.262391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.262391 (E_RNA) where: Base-Base interactions energy: -61.685 where: short stacking energy: -61.685 Base-Backbone interact. energy: -0.000 local terms energy: -60.577085 where: bonds (distance) C4'-P energy: -10.408 bonds (distance) P-C4' energy: -14.378 flat angles C4'-P-C4' energy: -13.325 flat angles P-C4'-P energy: -5.472 tors. eta vs tors. theta energy: -16.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -132.047637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.047637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.047637 (E_RNA) where: Base-Base interactions energy: -79.388 where: short stacking energy: -48.205 Base-Backbone interact. energy: -0.002 local terms energy: -52.658518 where: bonds (distance) C4'-P energy: -10.073 bonds (distance) P-C4' energy: -13.124 flat angles C4'-P-C4' energy: -11.083 flat angles P-C4'-P energy: -5.670 tors. eta vs tors. theta energy: -12.707 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: 6, replica: 9 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -91.959747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.959747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.959747 (E_RNA) where: Base-Base interactions energy: -43.674 where: short stacking energy: -43.523 Base-Backbone interact. energy: -0.008 local terms energy: -48.277564 where: bonds (distance) C4'-P energy: -11.669 bonds (distance) P-C4' energy: -15.241 flat angles C4'-P-C4' energy: -7.463 flat angles P-C4'-P energy: -7.156 tors. eta vs tors. theta energy: -6.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -81.639427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.639427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.639427 (E_RNA) where: Base-Base interactions energy: -38.088 where: short stacking energy: -34.665 Base-Backbone interact. energy: -0.244 local terms energy: -43.307097 where: bonds (distance) C4'-P energy: -13.319 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -12.455 flat angles P-C4'-P energy: -4.376 tors. eta vs tors. theta energy: -0.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -72.832883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.832883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.832883 (E_RNA) where: Base-Base interactions energy: -32.124 where: short stacking energy: -27.301 Base-Backbone interact. energy: -0.137 local terms energy: -40.571790 where: bonds (distance) C4'-P energy: -12.629 bonds (distance) P-C4' energy: -15.501 flat angles C4'-P-C4' energy: -10.279 flat angles P-C4'-P energy: -1.727 tors. eta vs tors. theta energy: -0.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -76.706599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.706599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.706599 (E_RNA) where: Base-Base interactions energy: -30.010 where: short stacking energy: -30.010 Base-Backbone interact. energy: -0.098 local terms energy: -46.598114 where: bonds (distance) C4'-P energy: -11.627 bonds (distance) P-C4' energy: -14.397 flat angles C4'-P-C4' energy: -9.629 flat angles P-C4'-P energy: -9.619 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: 8 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -79.807895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.807895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.807895 (E_RNA) where: Base-Base interactions energy: -39.216 where: short stacking energy: -30.021 Base-Backbone interact. energy: 0.047 local terms energy: -40.639172 where: bonds (distance) C4'-P energy: -12.248 bonds (distance) P-C4' energy: -10.482 flat angles C4'-P-C4' energy: -8.727 flat angles P-C4'-P energy: -4.029 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: 1, replica: 4 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -157.189414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.189414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.189414 (E_RNA) where: Base-Base interactions energy: -94.599 where: short stacking energy: -66.692 Base-Backbone interact. energy: -0.001 local terms energy: -62.589467 where: bonds (distance) C4'-P energy: -12.463 bonds (distance) P-C4' energy: -13.278 flat angles C4'-P-C4' energy: -14.427 flat angles P-C4'-P energy: -9.411 tors. eta vs tors. theta energy: -13.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -161.392125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.392125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.392125 (E_RNA) where: Base-Base interactions energy: -94.734 where: short stacking energy: -61.662 Base-Backbone interact. energy: -0.004 local terms energy: -66.654323 where: bonds (distance) C4'-P energy: -12.720 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -15.133 flat angles P-C4'-P energy: -8.212 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: 1 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -140.662179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.662179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.662179 (E_RNA) where: Base-Base interactions energy: -84.451 where: short stacking energy: -49.570 Base-Backbone interact. energy: 0.696 local terms energy: -56.907923 where: bonds (distance) C4'-P energy: -12.342 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -11.433 flat angles P-C4'-P energy: -8.502 tors. eta vs tors. theta energy: -10.242 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: 6 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -103.439507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.439507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.439507 (E_RNA) where: Base-Base interactions energy: -46.121 where: short stacking energy: -46.121 Base-Backbone interact. energy: -0.167 local terms energy: -57.151942 where: bonds (distance) C4'-P energy: -11.780 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -14.467 flat angles P-C4'-P energy: -9.410 tors. eta vs tors. theta energy: -7.128 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: 5, replica: 9 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -97.593480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.593480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.593480 (E_RNA) where: Base-Base interactions energy: -43.955 where: short stacking energy: -32.294 Base-Backbone interact. energy: -1.729 local terms energy: -51.909686 where: bonds (distance) C4'-P energy: -13.312 bonds (distance) P-C4' energy: -11.417 flat angles C4'-P-C4' energy: -14.349 flat angles P-C4'-P energy: -10.968 tors. eta vs tors. theta energy: -1.864 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: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -145.861547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.861547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.861547 (E_RNA) where: Base-Base interactions energy: -90.398 where: short stacking energy: -56.296 Base-Backbone interact. energy: -0.003 local terms energy: -55.461064 where: bonds (distance) C4'-P energy: -12.380 bonds (distance) P-C4' energy: -6.317 flat angles C4'-P-C4' energy: -11.796 flat angles P-C4'-P energy: -6.460 tors. eta vs tors. theta energy: -18.509 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: 3 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -87.260808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.260808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.260808 (E_RNA) where: Base-Base interactions energy: -41.603 where: short stacking energy: -36.352 Base-Backbone interact. energy: -0.002 local terms energy: -45.655335 where: bonds (distance) C4'-P energy: -12.826 bonds (distance) P-C4' energy: -11.470 flat angles C4'-P-C4' energy: -12.292 flat angles P-C4'-P energy: -5.649 tors. eta vs tors. theta energy: -3.418 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: 10 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -83.431738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.431738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.431738 (E_RNA) where: Base-Base interactions energy: -36.538 where: short stacking energy: -32.028 Base-Backbone interact. energy: -0.664 local terms energy: -46.230564 where: bonds (distance) C4'-P energy: -10.177 bonds (distance) P-C4' energy: -9.716 flat angles C4'-P-C4' energy: -11.837 flat angles P-C4'-P energy: -6.633 tors. eta vs tors. theta energy: -7.868 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: 8 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -84.493177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.493177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.493177 (E_RNA) where: Base-Base interactions energy: -32.890 where: short stacking energy: -32.890 Base-Backbone interact. energy: -0.128 local terms energy: -51.474921 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -13.672 flat angles C4'-P-C4' energy: -15.694 flat angles P-C4'-P energy: -6.635 tors. eta vs tors. theta energy: -7.471 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: 2 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -71.413191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.413191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.413191 (E_RNA) where: Base-Base interactions energy: -44.285 where: short stacking energy: -29.571 Base-Backbone interact. energy: -0.157 local terms energy: -26.971281 where: bonds (distance) C4'-P energy: -4.551 bonds (distance) P-C4' energy: -11.538 flat angles C4'-P-C4' energy: -8.829 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: 1.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -165.565372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.565372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.565372 (E_RNA) where: Base-Base interactions energy: -99.028 where: short stacking energy: -66.536 Base-Backbone interact. energy: -0.002 local terms energy: -66.535067 where: bonds (distance) C4'-P energy: -12.020 bonds (distance) P-C4' energy: -14.042 flat angles C4'-P-C4' energy: -13.808 flat angles P-C4'-P energy: -10.051 tors. eta vs tors. theta energy: -16.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -151.454375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.454375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.454375 (E_RNA) where: Base-Base interactions energy: -90.792 where: short stacking energy: -56.103 Base-Backbone interact. energy: -0.017 local terms energy: -60.645171 where: bonds (distance) C4'-P energy: -13.456 bonds (distance) P-C4' energy: -10.918 flat angles C4'-P-C4' energy: -13.038 flat angles P-C4'-P energy: -9.089 tors. eta vs tors. theta energy: -14.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -146.700294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.700294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.700294 (E_RNA) where: Base-Base interactions energy: -82.810 where: short stacking energy: -51.683 Base-Backbone interact. energy: -0.006 local terms energy: -63.883748 where: bonds (distance) C4'-P energy: -13.733 bonds (distance) P-C4' energy: -13.486 flat angles C4'-P-C4' energy: -11.378 flat angles P-C4'-P energy: -11.589 tors. eta vs tors. theta energy: -13.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -106.580631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.580631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.580631 (E_RNA) where: Base-Base interactions energy: -46.884 where: short stacking energy: -45.631 Base-Backbone interact. energy: -0.058 local terms energy: -59.638297 where: bonds (distance) C4'-P energy: -13.216 bonds (distance) P-C4' energy: -14.017 flat angles C4'-P-C4' energy: -14.040 flat angles P-C4'-P energy: -6.308 tors. eta vs tors. theta energy: -12.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -90.067629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.067629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.067629 (E_RNA) where: Base-Base interactions energy: -40.749 where: short stacking energy: -39.127 Base-Backbone interact. energy: -0.006 local terms energy: -49.311857 where: bonds (distance) C4'-P energy: -8.849 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -14.054 flat angles P-C4'-P energy: -8.203 tors. eta vs tors. theta energy: -3.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -133.837038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.837038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.837038 (E_RNA) where: Base-Base interactions energy: -67.445 where: short stacking energy: -45.497 Base-Backbone interact. energy: -0.524 local terms energy: -65.868860 where: bonds (distance) C4'-P energy: -14.404 bonds (distance) P-C4' energy: -14.957 flat angles C4'-P-C4' energy: -13.241 flat angles P-C4'-P energy: -10.892 tors. eta vs tors. theta energy: -12.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -88.022139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.022139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.022139 (E_RNA) where: Base-Base interactions energy: -35.854 where: short stacking energy: -28.205 Base-Backbone interact. energy: -0.225 local terms energy: -51.943682 where: bonds (distance) C4'-P energy: -12.089 bonds (distance) P-C4' energy: -15.572 flat angles C4'-P-C4' energy: -13.900 flat angles P-C4'-P energy: -4.960 tors. eta vs tors. theta energy: -5.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -83.891439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.891439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.891439 (E_RNA) where: Base-Base interactions energy: -38.227 where: short stacking energy: -34.461 Base-Backbone interact. energy: -0.110 local terms energy: -45.554285 where: bonds (distance) C4'-P energy: -3.500 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -8.790 flat angles P-C4'-P energy: -9.341 tors. eta vs tors. theta energy: -7.720 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: 9, replica: 10 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -72.031435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.031435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.031435 (E_RNA) where: Base-Base interactions energy: -30.162 where: short stacking energy: -14.992 Base-Backbone interact. energy: -0.026 local terms energy: -41.843053 where: bonds (distance) C4'-P energy: -10.998 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -8.505 flat angles P-C4'-P energy: -9.366 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: 2 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -72.386398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.386398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.386398 (E_RNA) where: Base-Base interactions energy: -31.042 where: short stacking energy: -25.062 Base-Backbone interact. energy: -0.178 local terms energy: -41.166583 where: bonds (distance) C4'-P energy: -8.854 bonds (distance) P-C4' energy: -10.027 flat angles C4'-P-C4' energy: -14.413 flat angles P-C4'-P energy: -7.662 tors. eta vs tors. theta energy: -0.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -159.240460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.240460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.240460 (E_RNA) where: Base-Base interactions energy: -89.061 where: short stacking energy: -55.263 Base-Backbone interact. energy: -0.383 local terms energy: -69.796395 where: bonds (distance) C4'-P energy: -11.022 bonds (distance) P-C4' energy: -16.467 flat angles C4'-P-C4' energy: -14.782 flat angles P-C4'-P energy: -11.861 tors. eta vs tors. theta energy: -15.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -141.827845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.827845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.827845 (E_RNA) where: Base-Base interactions energy: -88.615 where: short stacking energy: -49.350 Base-Backbone interact. energy: -1.089 local terms energy: -52.124202 where: bonds (distance) C4'-P energy: -12.885 bonds (distance) P-C4' energy: -9.152 flat angles C4'-P-C4' energy: -12.933 flat angles P-C4'-P energy: -3.918 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: 3, replica: 7 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -156.655894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.655894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.655894 (E_RNA) where: Base-Base interactions energy: -91.643 where: short stacking energy: -61.085 Base-Backbone interact. energy: -0.073 local terms energy: -64.939808 where: bonds (distance) C4'-P energy: -13.506 bonds (distance) P-C4' energy: -11.541 flat angles C4'-P-C4' energy: -13.478 flat angles P-C4'-P energy: -9.663 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: 9 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -107.658484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.658484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.658484 (E_RNA) where: Base-Base interactions energy: -54.794 where: short stacking energy: -54.794 Base-Backbone interact. energy: -0.165 local terms energy: -52.699817 where: bonds (distance) C4'-P energy: -9.582 bonds (distance) P-C4' energy: -15.093 flat angles C4'-P-C4' energy: -11.365 flat angles P-C4'-P energy: -5.317 tors. eta vs tors. theta energy: -11.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -126.613087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.613087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.613087 (E_RNA) where: Base-Base interactions energy: -70.741 where: short stacking energy: -60.867 Base-Backbone interact. energy: -0.076 local terms energy: -55.795873 where: bonds (distance) C4'-P energy: -11.944 bonds (distance) P-C4' energy: -13.572 flat angles C4'-P-C4' energy: -12.901 flat angles P-C4'-P energy: -6.460 tors. eta vs tors. theta energy: -10.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -103.418248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.418248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.418248 (E_RNA) where: Base-Base interactions energy: -52.457 where: short stacking energy: -51.702 Base-Backbone interact. energy: -0.033 local terms energy: -50.928331 where: bonds (distance) C4'-P energy: -8.136 bonds (distance) P-C4' energy: -14.032 flat angles C4'-P-C4' energy: -10.914 flat angles P-C4'-P energy: -8.865 tors. eta vs tors. theta energy: -8.982 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: 3 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -86.086623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.086623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.086623 (E_RNA) where: Base-Base interactions energy: -34.921 where: short stacking energy: -34.921 Base-Backbone interact. energy: -0.035 local terms energy: -51.130949 where: bonds (distance) C4'-P energy: -13.602 bonds (distance) P-C4' energy: -13.063 flat angles C4'-P-C4' energy: -10.899 flat angles P-C4'-P energy: -10.252 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: 8 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -77.118942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.118942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.118942 (E_RNA) where: Base-Base interactions energy: -31.385 where: short stacking energy: -31.385 Base-Backbone interact. energy: -0.003 local terms energy: -45.731158 where: bonds (distance) C4'-P energy: -11.258 bonds (distance) P-C4' energy: -10.167 flat angles C4'-P-C4' energy: -13.886 flat angles P-C4'-P energy: -7.355 tors. eta vs tors. theta energy: -3.064 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: 2 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -76.715254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.715254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.715254 (E_RNA) where: Base-Base interactions energy: -29.531 where: short stacking energy: -26.919 Base-Backbone interact. energy: -0.535 local terms energy: -46.648882 where: bonds (distance) C4'-P energy: -11.023 bonds (distance) P-C4' energy: -13.591 flat angles C4'-P-C4' energy: -10.372 flat angles P-C4'-P energy: -9.025 tors. eta vs tors. theta energy: -2.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -72.193885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.193885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.193885 (E_RNA) where: Base-Base interactions energy: -39.195 where: short stacking energy: -26.423 Base-Backbone interact. energy: -1.314 local terms energy: -31.684893 where: bonds (distance) C4'-P energy: -10.766 bonds (distance) P-C4' energy: -10.993 flat angles C4'-P-C4' energy: -7.896 flat angles P-C4'-P energy: -3.100 tors. eta vs tors. theta energy: 1.070 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: 1, replica: 4 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -148.297118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.297118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.297118 (E_RNA) where: Base-Base interactions energy: -94.795 where: short stacking energy: -47.006 Base-Backbone interact. energy: -0.681 local terms energy: -52.820674 where: bonds (distance) C4'-P energy: -11.978 bonds (distance) P-C4' energy: -14.730 flat angles C4'-P-C4' energy: -13.714 flat angles P-C4'-P energy: -6.109 tors. eta vs tors. theta energy: -6.289 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: 7 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -137.872956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.872956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.872956 (E_RNA) where: Base-Base interactions energy: -76.838 where: short stacking energy: -47.167 Base-Backbone interact. energy: -0.964 local terms energy: -60.071193 where: bonds (distance) C4'-P energy: -14.644 bonds (distance) P-C4' energy: -12.229 flat angles C4'-P-C4' energy: -9.664 flat angles P-C4'-P energy: -10.675 tors. eta vs tors. theta energy: -12.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -141.753855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.753855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.753855 (E_RNA) where: Base-Base interactions energy: -80.948 where: short stacking energy: -44.706 Base-Backbone interact. energy: -0.004 local terms energy: -60.801633 where: bonds (distance) C4'-P energy: -14.363 bonds (distance) P-C4' energy: -13.462 flat angles C4'-P-C4' energy: -14.537 flat angles P-C4'-P energy: -8.444 tors. eta vs tors. theta energy: -9.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -117.248301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.248301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.248301 (E_RNA) where: Base-Base interactions energy: -60.371 where: short stacking energy: -60.371 Base-Backbone interact. energy: -0.023 local terms energy: -56.853585 where: bonds (distance) C4'-P energy: -13.038 bonds (distance) P-C4' energy: -10.396 flat angles C4'-P-C4' energy: -13.429 flat angles P-C4'-P energy: -7.724 tors. eta vs tors. theta energy: -12.266 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: 5 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -133.534031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.534031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.534031 (E_RNA) where: Base-Base interactions energy: -79.252 where: short stacking energy: -48.313 Base-Backbone interact. energy: -0.113 local terms energy: -54.168898 where: bonds (distance) C4'-P energy: -15.195 bonds (distance) P-C4' energy: -13.745 flat angles C4'-P-C4' energy: -14.522 flat angles P-C4'-P energy: -0.918 tors. eta vs tors. theta energy: -9.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -88.961329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.961329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.961329 (E_RNA) where: Base-Base interactions energy: -31.995 where: short stacking energy: -31.995 Base-Backbone interact. energy: -0.125 local terms energy: -56.841424 where: bonds (distance) C4'-P energy: -13.578 bonds (distance) P-C4' energy: -13.723 flat angles C4'-P-C4' energy: -14.542 flat angles P-C4'-P energy: -5.939 tors. eta vs tors. theta energy: -9.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -84.293487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.293487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.293487 (E_RNA) where: Base-Base interactions energy: -41.693 where: short stacking energy: -32.699 Base-Backbone interact. energy: -0.733 local terms energy: -41.867066 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -12.943 flat angles C4'-P-C4' energy: -9.837 flat angles P-C4'-P energy: -5.598 tors. eta vs tors. theta energy: -4.552 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: 2 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -84.479442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.479442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.479442 (E_RNA) where: Base-Base interactions energy: -42.112 where: short stacking energy: -42.112 Base-Backbone interact. energy: -0.025 local terms energy: -42.342957 where: bonds (distance) C4'-P energy: -12.095 bonds (distance) P-C4' energy: -12.709 flat angles C4'-P-C4' energy: -10.990 flat angles P-C4'-P energy: 1.238 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: 9, replica: 8 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -80.879368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.879368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.879368 (E_RNA) where: Base-Base interactions energy: -39.053 where: short stacking energy: -34.990 Base-Backbone interact. energy: -0.152 local terms energy: -41.674370 where: bonds (distance) C4'-P energy: -12.471 bonds (distance) P-C4' energy: -9.639 flat angles C4'-P-C4' energy: -9.016 flat angles P-C4'-P energy: -5.593 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: 10, replica: 10 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -77.085063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.085063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.085063 (E_RNA) where: Base-Base interactions energy: -32.340 where: short stacking energy: -32.340 Base-Backbone interact. energy: -0.187 local terms energy: -44.557814 where: bonds (distance) C4'-P energy: -10.227 bonds (distance) P-C4' energy: -12.944 flat angles C4'-P-C4' energy: -7.980 flat angles P-C4'-P energy: -9.037 tors. eta vs tors. theta energy: -4.370 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: 4 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -146.452541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.452541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.452541 (E_RNA) where: Base-Base interactions energy: -91.191 where: short stacking energy: -53.489 Base-Backbone interact. energy: -0.097 local terms energy: -55.164630 where: bonds (distance) C4'-P energy: -11.841 bonds (distance) P-C4' energy: -9.672 flat angles C4'-P-C4' energy: -15.238 flat angles P-C4'-P energy: -9.040 tors. eta vs tors. theta energy: -9.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -147.794330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.794330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.794330 (E_RNA) where: Base-Base interactions energy: -85.221 where: short stacking energy: -55.807 Base-Backbone interact. energy: -0.356 local terms energy: -62.218228 where: bonds (distance) C4'-P energy: -12.646 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -14.854 flat angles P-C4'-P energy: -8.993 tors. eta vs tors. theta energy: -12.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -153.720007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.720007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.720007 (E_RNA) where: Base-Base interactions energy: -92.634 where: short stacking energy: -59.879 Base-Backbone interact. energy: -0.042 local terms energy: -61.043779 where: bonds (distance) C4'-P energy: -13.650 bonds (distance) P-C4' energy: -10.845 flat angles C4'-P-C4' energy: -13.872 flat angles P-C4'-P energy: -8.717 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: 4, replica: 9 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -109.075866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.075866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.075866 (E_RNA) where: Base-Base interactions energy: -51.220 where: short stacking energy: -51.220 Base-Backbone interact. energy: -0.001 local terms energy: -57.854856 where: bonds (distance) C4'-P energy: -13.606 bonds (distance) P-C4' energy: -13.440 flat angles C4'-P-C4' energy: -12.966 flat angles P-C4'-P energy: -4.254 tors. eta vs tors. theta energy: -13.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -147.703738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.703738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.703738 (E_RNA) where: Base-Base interactions energy: -80.570 where: short stacking energy: -53.100 Base-Backbone interact. energy: -0.329 local terms energy: -66.804040 where: bonds (distance) C4'-P energy: -15.141 bonds (distance) P-C4' energy: -15.001 flat angles C4'-P-C4' energy: -15.224 flat angles P-C4'-P energy: -8.359 tors. eta vs tors. theta energy: -13.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -99.422776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.422776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.422776 (E_RNA) where: Base-Base interactions energy: -49.935 where: short stacking energy: -36.738 Base-Backbone interact. energy: -0.051 local terms energy: -49.436973 where: bonds (distance) C4'-P energy: -15.001 bonds (distance) P-C4' energy: -10.843 flat angles C4'-P-C4' energy: -13.640 flat angles P-C4'-P energy: -2.835 tors. eta vs tors. theta energy: -7.118 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: 30 Temperature: 1.200000 Total energy: -79.681649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.681649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.681649 (E_RNA) where: Base-Base interactions energy: -33.033 where: short stacking energy: -33.033 Base-Backbone interact. energy: -0.078 local terms energy: -46.571576 where: bonds (distance) C4'-P energy: -13.423 bonds (distance) P-C4' energy: -12.538 flat angles C4'-P-C4' energy: -7.314 flat angles P-C4'-P energy: -8.023 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: 8, replica: 6 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -87.472250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.472250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.472250 (E_RNA) where: Base-Base interactions energy: -45.103 where: short stacking energy: -38.496 Base-Backbone interact. energy: -0.152 local terms energy: -42.217474 where: bonds (distance) C4'-P energy: -10.895 bonds (distance) P-C4' energy: -12.163 flat angles C4'-P-C4' energy: -10.767 flat angles P-C4'-P energy: -4.996 tors. eta vs tors. theta energy: -3.396 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: 9, replica: 8 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -83.862370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.862370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.862370 (E_RNA) where: Base-Base interactions energy: -42.527 where: short stacking energy: -42.134 Base-Backbone interact. energy: -0.275 local terms energy: -41.060259 where: bonds (distance) C4'-P energy: -5.616 bonds (distance) P-C4' energy: -11.273 flat angles C4'-P-C4' energy: -10.367 flat angles P-C4'-P energy: -8.925 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: 10, replica: 10 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -70.372494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.372494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.372494 (E_RNA) where: Base-Base interactions energy: -26.425 where: short stacking energy: -21.570 Base-Backbone interact. energy: -0.391 local terms energy: -43.555736 where: bonds (distance) C4'-P energy: -7.827 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -10.542 flat angles P-C4'-P energy: -6.080 tors. eta vs tors. theta energy: -6.001 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: 4 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -152.681762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.681762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.681762 (E_RNA) where: Base-Base interactions energy: -93.566 where: short stacking energy: -59.270 Base-Backbone interact. energy: -0.059 local terms energy: -59.056660 where: bonds (distance) C4'-P energy: -12.409 bonds (distance) P-C4' energy: -10.388 flat angles C4'-P-C4' energy: -14.457 flat angles P-C4'-P energy: -7.052 tors. eta vs tors. theta energy: -14.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -149.637045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.637045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.637045 (E_RNA) where: Base-Base interactions energy: -88.317 where: short stacking energy: -57.148 Base-Backbone interact. energy: -0.015 local terms energy: -61.304941 where: bonds (distance) C4'-P energy: -13.358 bonds (distance) P-C4' energy: -11.437 flat angles C4'-P-C4' energy: -12.687 flat angles P-C4'-P energy: -9.618 tors. eta vs tors. theta energy: -14.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -136.629211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.629211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.629211 (E_RNA) where: Base-Base interactions energy: -82.134 where: short stacking energy: -54.179 Base-Backbone interact. energy: -0.027 local terms energy: -54.468537 where: bonds (distance) C4'-P energy: -8.775 bonds (distance) P-C4' energy: -13.774 flat angles C4'-P-C4' energy: -14.119 flat angles P-C4'-P energy: -9.121 tors. eta vs tors. theta energy: -8.679 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: 31 Temperature: 1.050000 Total energy: -124.479013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.479013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.479013 (E_RNA) where: Base-Base interactions energy: -71.247 where: short stacking energy: -43.432 Base-Backbone interact. energy: -0.141 local terms energy: -53.091511 where: bonds (distance) C4'-P energy: -12.657 bonds (distance) P-C4' energy: -15.420 flat angles C4'-P-C4' energy: -12.949 flat angles P-C4'-P energy: -7.660 tors. eta vs tors. theta energy: -4.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -101.929784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.929784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.929784 (E_RNA) where: Base-Base interactions energy: -45.085 where: short stacking energy: -45.085 Base-Backbone interact. energy: -0.039 local terms energy: -56.805430 where: bonds (distance) C4'-P energy: -11.663 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -13.578 flat angles P-C4'-P energy: -8.919 tors. eta vs tors. theta energy: -9.328 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: 6, replica: 2 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -87.924014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.924014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.924014 (E_RNA) where: Base-Base interactions energy: -37.757 where: short stacking energy: -37.757 Base-Backbone interact. energy: -0.077 local terms energy: -50.089708 where: bonds (distance) C4'-P energy: -14.264 bonds (distance) P-C4' energy: -12.094 flat angles C4'-P-C4' energy: -8.832 flat angles P-C4'-P energy: -9.500 tors. eta vs tors. theta energy: -5.400 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: 3 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -104.045090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.045090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.045090 (E_RNA) where: Base-Base interactions energy: -53.304 where: short stacking energy: -53.304 Base-Backbone interact. energy: -0.008 local terms energy: -50.732859 where: bonds (distance) C4'-P energy: -8.148 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -13.043 flat angles P-C4'-P energy: -6.997 tors. eta vs tors. theta energy: -8.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -81.424479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.424479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.424479 (E_RNA) where: Base-Base interactions energy: -46.641 where: short stacking energy: -28.568 Base-Backbone interact. energy: -2.011 local terms energy: -32.773138 where: bonds (distance) C4'-P energy: -13.137 bonds (distance) P-C4' energy: -12.015 flat angles C4'-P-C4' energy: -10.003 flat angles P-C4'-P energy: 2.962 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: 9, replica: 8 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -77.826021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.826021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.826021 (E_RNA) where: Base-Base interactions energy: -32.168 where: short stacking energy: -31.648 Base-Backbone interact. energy: 1.263 local terms energy: -46.921552 where: bonds (distance) C4'-P energy: -11.361 bonds (distance) P-C4' energy: -11.856 flat angles C4'-P-C4' energy: -10.340 flat angles P-C4'-P energy: -5.871 tors. eta vs tors. theta energy: -7.492 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: 10, replica: 10 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -73.927571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.927571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.927571 (E_RNA) where: Base-Base interactions energy: -28.444 where: short stacking energy: -23.526 Base-Backbone interact. energy: -0.143 local terms energy: -45.340771 where: bonds (distance) C4'-P energy: -11.781 bonds (distance) P-C4' energy: -14.078 flat angles C4'-P-C4' energy: -12.479 flat angles P-C4'-P energy: -5.412 tors. eta vs tors. theta energy: -1.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -155.256903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.256903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.256903 (E_RNA) where: Base-Base interactions energy: -91.296 where: short stacking energy: -61.115 Base-Backbone interact. energy: -0.213 local terms energy: -63.748236 where: bonds (distance) C4'-P energy: -15.249 bonds (distance) P-C4' energy: -11.855 flat angles C4'-P-C4' energy: -12.689 flat angles P-C4'-P energy: -9.166 tors. eta vs tors. theta energy: -14.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -157.632687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.632687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.632687 (E_RNA) where: Base-Base interactions energy: -100.676 where: short stacking energy: -55.174 Base-Backbone interact. energy: -0.136 local terms energy: -56.820579 where: bonds (distance) C4'-P energy: -12.976 bonds (distance) P-C4' energy: -12.192 flat angles C4'-P-C4' energy: -9.968 flat angles P-C4'-P energy: -8.201 tors. eta vs tors. theta energy: -13.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -145.165988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.165988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.165988 (E_RNA) where: Base-Base interactions energy: -88.099 where: short stacking energy: -55.872 Base-Backbone interact. energy: -0.038 local terms energy: -57.028798 where: bonds (distance) C4'-P energy: -11.655 bonds (distance) P-C4' energy: -12.440 flat angles C4'-P-C4' energy: -12.062 flat angles P-C4'-P energy: -6.234 tors. eta vs tors. theta energy: -14.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -144.346405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.346405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.346405 (E_RNA) where: Base-Base interactions energy: -85.448 where: short stacking energy: -53.189 Base-Backbone interact. energy: -0.001 local terms energy: -58.897718 where: bonds (distance) C4'-P energy: -10.107 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -11.989 flat angles P-C4'-P energy: -9.775 tors. eta vs tors. theta energy: -10.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -107.949123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.949123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.949123 (E_RNA) where: Base-Base interactions energy: -49.730 where: short stacking energy: -45.404 Base-Backbone interact. energy: -0.003 local terms energy: -58.215714 where: bonds (distance) C4'-P energy: -12.835 bonds (distance) P-C4' energy: -13.023 flat angles C4'-P-C4' energy: -13.623 flat angles P-C4'-P energy: -10.041 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: 6, replica: 9 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -97.956401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.956401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.956401 (E_RNA) where: Base-Base interactions energy: -43.165 where: short stacking energy: -43.165 Base-Backbone interact. energy: 1.325 local terms energy: -56.116501 where: bonds (distance) C4'-P energy: -11.847 bonds (distance) P-C4' energy: -12.087 flat angles C4'-P-C4' energy: -13.616 flat angles P-C4'-P energy: -9.223 tors. eta vs tors. theta energy: -9.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -98.325862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.325862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.325862 (E_RNA) where: Base-Base interactions energy: -48.067 where: short stacking energy: -30.045 Base-Backbone interact. energy: -0.891 local terms energy: -49.367726 where: bonds (distance) C4'-P energy: -10.584 bonds (distance) P-C4' energy: -13.276 flat angles C4'-P-C4' energy: -11.436 flat angles P-C4'-P energy: -11.312 tors. eta vs tors. theta energy: -2.760 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: 3 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -89.901181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.901181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.901181 (E_RNA) where: Base-Base interactions energy: -37.201 where: short stacking energy: -37.201 Base-Backbone interact. energy: -0.091 local terms energy: -52.608554 where: bonds (distance) C4'-P energy: -10.290 bonds (distance) P-C4' energy: -13.312 flat angles C4'-P-C4' energy: -11.622 flat angles P-C4'-P energy: -8.667 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: 10 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -114.202585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.202585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.202585 (E_RNA) where: Base-Base interactions energy: -70.871 where: short stacking energy: -45.035 Base-Backbone interact. energy: -0.912 local terms energy: -42.419793 where: bonds (distance) C4'-P energy: -8.389 bonds (distance) P-C4' energy: -11.704 flat angles C4'-P-C4' energy: -11.605 flat angles P-C4'-P energy: -4.658 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: 10, replica: 8 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -78.696333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.696333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.696333 (E_RNA) where: Base-Base interactions energy: -40.771 where: short stacking energy: -34.894 Base-Backbone interact. energy: -0.080 local terms energy: -37.845320 where: bonds (distance) C4'-P energy: -3.182 bonds (distance) P-C4' energy: -11.468 flat angles C4'-P-C4' energy: -12.202 flat angles P-C4'-P energy: -7.574 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: 1 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -165.728470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.728470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.728470 (E_RNA) where: Base-Base interactions energy: -95.845 where: short stacking energy: -61.592 Base-Backbone interact. energy: -0.484 local terms energy: -69.399698 where: bonds (distance) C4'-P energy: -12.181 bonds (distance) P-C4' energy: -15.780 flat angles C4'-P-C4' energy: -14.184 flat angles P-C4'-P energy: -8.933 tors. eta vs tors. theta energy: -18.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -159.743205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.743205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.743205 (E_RNA) where: Base-Base interactions energy: -98.664 where: short stacking energy: -63.935 Base-Backbone interact. energy: -0.052 local terms energy: -61.027492 where: bonds (distance) C4'-P energy: -13.899 bonds (distance) P-C4' energy: -13.132 flat angles C4'-P-C4' energy: -11.709 flat angles P-C4'-P energy: -5.466 tors. eta vs tors. theta energy: -16.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -146.354936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.354936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.354936 (E_RNA) where: Base-Base interactions energy: -88.654 where: short stacking energy: -62.576 Base-Backbone interact. energy: -0.333 local terms energy: -57.367611 where: bonds (distance) C4'-P energy: -13.712 bonds (distance) P-C4' energy: -12.669 flat angles C4'-P-C4' energy: -12.311 flat angles P-C4'-P energy: -5.470 tors. eta vs tors. theta energy: -13.205 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: 7 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -130.312534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.312534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.312534 (E_RNA) where: Base-Base interactions energy: -76.523 where: short stacking energy: -47.384 Base-Backbone interact. energy: -0.340 local terms energy: -53.449757 where: bonds (distance) C4'-P energy: -11.432 bonds (distance) P-C4' energy: -12.716 flat angles C4'-P-C4' energy: -13.181 flat angles P-C4'-P energy: -9.388 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: 5, replica: 2 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -112.126722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.126722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.126722 (E_RNA) where: Base-Base interactions energy: -56.901 where: short stacking energy: -56.901 Base-Backbone interact. energy: -0.001 local terms energy: -55.225378 where: bonds (distance) C4'-P energy: -11.250 bonds (distance) P-C4' energy: -12.182 flat angles C4'-P-C4' energy: -9.088 flat angles P-C4'-P energy: -10.228 tors. eta vs tors. theta energy: -12.478 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: 6 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -83.006791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.006791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.006791 (E_RNA) where: Base-Base interactions energy: -37.950 where: short stacking energy: -37.799 Base-Backbone interact. energy: -0.153 local terms energy: -44.903555 where: bonds (distance) C4'-P energy: -11.536 bonds (distance) P-C4' energy: -11.073 flat angles C4'-P-C4' energy: -9.425 flat angles P-C4'-P energy: -8.405 tors. eta vs tors. theta energy: -4.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -88.288905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.288905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.288905 (E_RNA) where: Base-Base interactions energy: -37.595 where: short stacking energy: -37.157 Base-Backbone interact. energy: -0.119 local terms energy: -50.575527 where: bonds (distance) C4'-P energy: -12.272 bonds (distance) P-C4' energy: -15.020 flat angles C4'-P-C4' energy: -9.284 flat angles P-C4'-P energy: -9.906 tors. eta vs tors. theta energy: -4.094 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: 3 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -81.474547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.474547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.474547 (E_RNA) where: Base-Base interactions energy: -33.373 where: short stacking energy: -33.373 Base-Backbone interact. energy: -0.020 local terms energy: -48.080923 where: bonds (distance) C4'-P energy: -12.198 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -10.928 flat angles P-C4'-P energy: -6.338 tors. eta vs tors. theta energy: -4.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -79.312713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.312713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.312713 (E_RNA) where: Base-Base interactions energy: -42.235 where: short stacking energy: -35.583 Base-Backbone interact. energy: -0.024 local terms energy: -37.054021 where: bonds (distance) C4'-P energy: -9.858 bonds (distance) P-C4' energy: -11.044 flat angles C4'-P-C4' energy: -8.010 flat angles P-C4'-P energy: -7.600 tors. eta vs tors. theta energy: -0.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -78.484902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.484902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.484902 (E_RNA) where: Base-Base interactions energy: -36.442 where: short stacking energy: -27.562 Base-Backbone interact. energy: 0.042 local terms energy: -42.084774 where: bonds (distance) C4'-P energy: -12.037 bonds (distance) P-C4' energy: -12.137 flat angles C4'-P-C4' energy: -6.333 flat angles P-C4'-P energy: -7.295 tors. eta vs tors. theta energy: -4.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -175.041703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.041703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.041703 (E_RNA) where: Base-Base interactions energy: -111.486 where: short stacking energy: -69.997 Base-Backbone interact. energy: -0.005 local terms energy: -63.550251 where: bonds (distance) C4'-P energy: -12.442 bonds (distance) P-C4' energy: -13.361 flat angles C4'-P-C4' energy: -10.927 flat angles P-C4'-P energy: -7.378 tors. eta vs tors. theta energy: -19.443 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: 1 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -148.679655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.679655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.679655 (E_RNA) where: Base-Base interactions energy: -90.233 where: short stacking energy: -55.901 Base-Backbone interact. energy: -0.112 local terms energy: -58.334576 where: bonds (distance) C4'-P energy: -11.042 bonds (distance) P-C4' energy: -12.968 flat angles C4'-P-C4' energy: -12.498 flat angles P-C4'-P energy: -8.635 tors. eta vs tors. theta energy: -13.191 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: 3, replica: 5 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -145.507207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.507207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.507207 (E_RNA) where: Base-Base interactions energy: -89.372 where: short stacking energy: -44.919 Base-Backbone interact. energy: -0.076 local terms energy: -56.059177 where: bonds (distance) C4'-P energy: -14.699 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -14.396 flat angles P-C4'-P energy: -6.946 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: 4, replica: 7 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -122.960732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.960732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.960732 (E_RNA) where: Base-Base interactions energy: -77.842 where: short stacking energy: -41.406 Base-Backbone interact. energy: -0.835 local terms energy: -44.284036 where: bonds (distance) C4'-P energy: -12.472 bonds (distance) P-C4' energy: -10.623 flat angles C4'-P-C4' energy: -12.354 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: -4.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -100.335538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.335538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.335538 (E_RNA) where: Base-Base interactions energy: -43.259 where: short stacking energy: -39.930 Base-Backbone interact. energy: -0.018 local terms energy: -57.058906 where: bonds (distance) C4'-P energy: -11.010 bonds (distance) P-C4' energy: -14.566 flat angles C4'-P-C4' energy: -15.863 flat angles P-C4'-P energy: -8.490 tors. eta vs tors. theta energy: -7.130 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: 2 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -94.559914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.559914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.559914 (E_RNA) where: Base-Base interactions energy: -44.016 where: short stacking energy: -41.830 Base-Backbone interact. energy: 0.010 local terms energy: -50.554071 where: bonds (distance) C4'-P energy: -10.419 bonds (distance) P-C4' energy: -12.719 flat angles C4'-P-C4' energy: -12.275 flat angles P-C4'-P energy: -6.173 tors. eta vs tors. theta energy: -8.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -133.470916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.470916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.470916 (E_RNA) where: Base-Base interactions energy: -74.413 where: short stacking energy: -47.887 Base-Backbone interact. energy: 0.718 local terms energy: -59.776437 where: bonds (distance) C4'-P energy: -14.752 bonds (distance) P-C4' energy: -14.063 flat angles C4'-P-C4' energy: -13.508 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -12.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -90.963907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.963907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.963907 (E_RNA) where: Base-Base interactions energy: -51.345 where: short stacking energy: -37.614 Base-Backbone interact. energy: -0.037 local terms energy: -39.581882 where: bonds (distance) C4'-P energy: -7.403 bonds (distance) P-C4' energy: -6.895 flat angles C4'-P-C4' energy: -15.927 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -5.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -74.878807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.878807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.878807 (E_RNA) where: Base-Base interactions energy: -32.635 where: short stacking energy: -32.635 Base-Backbone interact. energy: -0.014 local terms energy: -42.229679 where: bonds (distance) C4'-P energy: -10.434 bonds (distance) P-C4' energy: -13.237 flat angles C4'-P-C4' energy: -9.876 flat angles P-C4'-P energy: -9.051 tors. eta vs tors. theta energy: 0.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -89.396069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.396069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.396069 (E_RNA) where: Base-Base interactions energy: -49.163 where: short stacking energy: -34.017 Base-Backbone interact. energy: -0.115 local terms energy: -40.118226 where: bonds (distance) C4'-P energy: -11.855 bonds (distance) P-C4' energy: -5.245 flat angles C4'-P-C4' energy: -11.187 flat angles P-C4'-P energy: -7.627 tors. eta vs tors. theta energy: -4.204 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: 1, replica: 4 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -170.581720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.581720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.581720 (E_RNA) where: Base-Base interactions energy: -100.283 where: short stacking energy: -66.416 Base-Backbone interact. energy: -0.000 local terms energy: -70.298208 where: bonds (distance) C4'-P energy: -13.915 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -15.323 flat angles P-C4'-P energy: -8.640 tors. eta vs tors. theta energy: -19.124 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: 5 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -149.440013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.440013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.440013 (E_RNA) where: Base-Base interactions energy: -89.419 where: short stacking energy: -53.877 Base-Backbone interact. energy: -0.001 local terms energy: -60.020033 where: bonds (distance) C4'-P energy: -14.326 bonds (distance) P-C4' energy: -13.658 flat angles C4'-P-C4' energy: -10.218 flat angles P-C4'-P energy: -9.207 tors. eta vs tors. theta energy: -12.611 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: 1 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -153.750295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.750295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.750295 (E_RNA) where: Base-Base interactions energy: -99.394 where: short stacking energy: -57.881 Base-Backbone interact. energy: -0.169 local terms energy: -54.187724 where: bonds (distance) C4'-P energy: -10.467 bonds (distance) P-C4' energy: -14.551 flat angles C4'-P-C4' energy: -8.511 flat angles P-C4'-P energy: -7.494 tors. eta vs tors. theta energy: -13.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -120.382687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.382687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.382687 (E_RNA) where: Base-Base interactions energy: -66.822 where: short stacking energy: -42.394 Base-Backbone interact. energy: -0.332 local terms energy: -53.228189 where: bonds (distance) C4'-P energy: -11.535 bonds (distance) P-C4' energy: -15.053 flat angles C4'-P-C4' energy: -11.515 flat angles P-C4'-P energy: -6.734 tors. eta vs tors. theta energy: -8.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -123.917944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.917944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.917944 (E_RNA) where: Base-Base interactions energy: -71.562 where: short stacking energy: -47.680 Base-Backbone interact. energy: -0.027 local terms energy: -52.328813 where: bonds (distance) C4'-P energy: -8.526 bonds (distance) P-C4' energy: -14.476 flat angles C4'-P-C4' energy: -15.374 flat angles P-C4'-P energy: -7.967 tors. eta vs tors. theta energy: -5.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -112.019942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.019942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.019942 (E_RNA) where: Base-Base interactions energy: -64.515 where: short stacking energy: -38.000 Base-Backbone interact. energy: 1.142 local terms energy: -48.647198 where: bonds (distance) C4'-P energy: -10.799 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -13.024 flat angles P-C4'-P energy: -7.986 tors. eta vs tors. theta energy: -3.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -83.337305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.337305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.337305 (E_RNA) where: Base-Base interactions energy: -36.158 where: short stacking energy: -34.760 Base-Backbone interact. energy: 1.315 local terms energy: -48.494261 where: bonds (distance) C4'-P energy: -13.696 bonds (distance) P-C4' energy: -13.100 flat angles C4'-P-C4' energy: -12.481 flat angles P-C4'-P energy: -6.921 tors. eta vs tors. theta energy: -2.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -78.211992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.211992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.211992 (E_RNA) where: Base-Base interactions energy: -35.397 where: short stacking energy: -30.354 Base-Backbone interact. energy: 0.856 local terms energy: -43.671310 where: bonds (distance) C4'-P energy: -11.164 bonds (distance) P-C4' energy: -11.448 flat angles C4'-P-C4' energy: -12.613 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -4.069 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: 9 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -81.710618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.710618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.710618 (E_RNA) where: Base-Base interactions energy: -38.807 where: short stacking energy: -38.807 Base-Backbone interact. energy: -0.117 local terms energy: -42.786513 where: bonds (distance) C4'-P energy: -13.982 bonds (distance) P-C4' energy: -11.036 flat angles C4'-P-C4' energy: -8.404 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -6.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -72.269059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.269059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.269059 (E_RNA) where: Base-Base interactions energy: -32.143 where: short stacking energy: -27.996 Base-Backbone interact. energy: -0.062 local terms energy: -40.064407 where: bonds (distance) C4'-P energy: -9.842 bonds (distance) P-C4' energy: -12.444 flat angles C4'-P-C4' energy: -9.042 flat angles P-C4'-P energy: -6.248 tors. eta vs tors. theta energy: -2.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -166.778753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.778753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.778753 (E_RNA) where: Base-Base interactions energy: -105.758 where: short stacking energy: -60.732 Base-Backbone interact. energy: -0.022 local terms energy: -60.998822 where: bonds (distance) C4'-P energy: -10.132 bonds (distance) P-C4' energy: -14.875 flat angles C4'-P-C4' energy: -9.945 flat angles P-C4'-P energy: -11.117 tors. eta vs tors. theta energy: -14.930 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: 5 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -148.395600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.395600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.395600 (E_RNA) where: Base-Base interactions energy: -86.603 where: short stacking energy: -54.627 Base-Backbone interact. energy: -0.289 local terms energy: -61.503004 where: bonds (distance) C4'-P energy: -14.682 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -11.322 flat angles P-C4'-P energy: -8.618 tors. eta vs tors. theta energy: -11.359 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: 3, replica: 6 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -130.070327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.070327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.070327 (E_RNA) where: Base-Base interactions energy: -76.507 where: short stacking energy: -47.413 Base-Backbone interact. energy: -0.152 local terms energy: -53.410903 where: bonds (distance) C4'-P energy: -11.087 bonds (distance) P-C4' energy: -10.964 flat angles C4'-P-C4' energy: -13.676 flat angles P-C4'-P energy: -8.481 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: 1 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -142.321328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.321328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.321328 (E_RNA) where: Base-Base interactions energy: -91.276 where: short stacking energy: -59.027 Base-Backbone interact. energy: -0.016 local terms energy: -51.028521 where: bonds (distance) C4'-P energy: -9.362 bonds (distance) P-C4' energy: -13.513 flat angles C4'-P-C4' energy: -9.158 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -13.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -133.956120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.956120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.956120 (E_RNA) where: Base-Base interactions energy: -77.852 where: short stacking energy: -44.086 Base-Backbone interact. energy: -0.425 local terms energy: -55.679278 where: bonds (distance) C4'-P energy: -14.140 bonds (distance) P-C4' energy: -11.504 flat angles C4'-P-C4' energy: -12.523 flat angles P-C4'-P energy: -7.478 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: 6, replica: 3 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -129.341531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.341531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.341531 (E_RNA) where: Base-Base interactions energy: -73.351 where: short stacking energy: -46.194 Base-Backbone interact. energy: -0.016 local terms energy: -55.974081 where: bonds (distance) C4'-P energy: -11.304 bonds (distance) P-C4' energy: -14.138 flat angles C4'-P-C4' energy: -13.480 flat angles P-C4'-P energy: -9.684 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: 8 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -88.333376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.333376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.333376 (E_RNA) where: Base-Base interactions energy: -38.990 where: short stacking energy: -34.886 Base-Backbone interact. energy: -0.748 local terms energy: -48.595217 where: bonds (distance) C4'-P energy: -8.973 bonds (distance) P-C4' energy: -9.371 flat angles C4'-P-C4' energy: -12.642 flat angles P-C4'-P energy: -11.661 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: 2 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -76.564364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.564364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.564364 (E_RNA) where: Base-Base interactions energy: -31.569 where: short stacking energy: -31.065 Base-Backbone interact. energy: 0.700 local terms energy: -45.695267 where: bonds (distance) C4'-P energy: -12.405 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -11.728 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: -1.749 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: 9, replica: 10 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -88.362619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.362619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.362619 (E_RNA) where: Base-Base interactions energy: -43.813 where: short stacking energy: -37.506 Base-Backbone interact. energy: -0.185 local terms energy: -44.365243 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -14.572 flat angles C4'-P-C4' energy: -7.846 flat angles P-C4'-P energy: -6.926 tors. eta vs tors. theta energy: -6.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -74.960208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.960208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.960208 (E_RNA) where: Base-Base interactions energy: -25.082 where: short stacking energy: -24.204 Base-Backbone interact. energy: -0.348 local terms energy: -49.530308 where: bonds (distance) C4'-P energy: -15.936 bonds (distance) P-C4' energy: -13.331 flat angles C4'-P-C4' energy: -8.938 flat angles P-C4'-P energy: -8.145 tors. eta vs tors. theta energy: -3.181 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: 4 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -165.557831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.557831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.557831 (E_RNA) where: Base-Base interactions energy: -100.870 where: short stacking energy: -65.973 Base-Backbone interact. energy: -0.001 local terms energy: -64.686958 where: bonds (distance) C4'-P energy: -13.828 bonds (distance) P-C4' energy: -14.590 flat angles C4'-P-C4' energy: -12.027 flat angles P-C4'-P energy: -8.953 tors. eta vs tors. theta energy: -15.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -152.621289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.621289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.621289 (E_RNA) where: Base-Base interactions energy: -91.075 where: short stacking energy: -56.899 Base-Backbone interact. energy: -0.004 local terms energy: -61.541902 where: bonds (distance) C4'-P energy: -14.016 bonds (distance) P-C4' energy: -15.231 flat angles C4'-P-C4' energy: -11.788 flat angles P-C4'-P energy: -6.996 tors. eta vs tors. theta energy: -13.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -151.059821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.059821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.059821 (E_RNA) where: Base-Base interactions energy: -88.347 where: short stacking energy: -49.677 Base-Backbone interact. energy: -0.003 local terms energy: -62.709782 where: bonds (distance) C4'-P energy: -12.559 bonds (distance) P-C4' energy: -14.142 flat angles C4'-P-C4' energy: -14.877 flat angles P-C4'-P energy: -10.920 tors. eta vs tors. theta energy: -10.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -130.501621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.501621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.501621 (E_RNA) where: Base-Base interactions energy: -83.798 where: short stacking energy: -50.201 Base-Backbone interact. energy: -0.030 local terms energy: -46.672824 where: bonds (distance) C4'-P energy: -11.060 bonds (distance) P-C4' energy: -13.610 flat angles C4'-P-C4' energy: -10.524 flat angles P-C4'-P energy: -3.979 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: 5, replica: 7 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -141.061615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.061615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.061615 (E_RNA) where: Base-Base interactions energy: -85.863 where: short stacking energy: -58.883 Base-Backbone interact. energy: -0.002 local terms energy: -55.196713 where: bonds (distance) C4'-P energy: -13.067 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -12.680 flat angles P-C4'-P energy: -5.423 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: 6, replica: 3 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -113.774321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.774321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.774321 (E_RNA) where: Base-Base interactions energy: -67.042 where: short stacking energy: -41.115 Base-Backbone interact. energy: -0.049 local terms energy: -46.683436 where: bonds (distance) C4'-P energy: -10.509 bonds (distance) P-C4' energy: -10.456 flat angles C4'-P-C4' energy: -14.083 flat angles P-C4'-P energy: -6.646 tors. eta vs tors. theta energy: -4.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -85.971747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.971747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.971747 (E_RNA) where: Base-Base interactions energy: -39.666 where: short stacking energy: -30.054 Base-Backbone interact. energy: -0.265 local terms energy: -46.039937 where: bonds (distance) C4'-P energy: -9.553 bonds (distance) P-C4' energy: -13.722 flat angles C4'-P-C4' energy: -12.183 flat angles P-C4'-P energy: -5.350 tors. eta vs tors. theta energy: -5.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -84.631600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.631600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.631600 (E_RNA) where: Base-Base interactions energy: -42.144 where: short stacking energy: -27.077 Base-Backbone interact. energy: -1.095 local terms energy: -41.392731 where: bonds (distance) C4'-P energy: -10.852 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -11.943 flat angles P-C4'-P energy: -6.824 tors. eta vs tors. theta energy: 1.490 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: 2 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -79.505303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.505303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.505303 (E_RNA) where: Base-Base interactions energy: -31.533 where: short stacking energy: -31.871 Base-Backbone interact. energy: -0.111 local terms energy: -47.860917 where: bonds (distance) C4'-P energy: -10.384 bonds (distance) P-C4' energy: -15.205 flat angles C4'-P-C4' energy: -14.588 flat angles P-C4'-P energy: -1.923 tors. eta vs tors. theta energy: -5.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -71.045614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.045614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.045614 (E_RNA) where: Base-Base interactions energy: -34.379 where: short stacking energy: -32.622 Base-Backbone interact. energy: -0.379 local terms energy: -36.287906 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -10.716 flat angles C4'-P-C4' energy: -11.689 flat angles P-C4'-P energy: -5.648 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: 1, replica: 4 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -161.837390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.837390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.837390 (E_RNA) where: Base-Base interactions energy: -93.329 where: short stacking energy: -54.069 Base-Backbone interact. energy: -0.013 local terms energy: -68.495609 where: bonds (distance) C4'-P energy: -14.288 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -13.991 flat angles P-C4'-P energy: -11.022 tors. eta vs tors. theta energy: -13.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -147.293544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.293544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.293544 (E_RNA) where: Base-Base interactions energy: -84.590 where: short stacking energy: -51.394 Base-Backbone interact. energy: -0.237 local terms energy: -62.466678 where: bonds (distance) C4'-P energy: -14.123 bonds (distance) P-C4' energy: -14.446 flat angles C4'-P-C4' energy: -14.497 flat angles P-C4'-P energy: -10.871 tors. eta vs tors. theta energy: -8.529 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: 3, replica: 5 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -144.851159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.851159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.851159 (E_RNA) where: Base-Base interactions energy: -89.126 where: short stacking energy: -63.349 Base-Backbone interact. energy: -0.143 local terms energy: -55.582835 where: bonds (distance) C4'-P energy: -13.221 bonds (distance) P-C4' energy: -9.604 flat angles C4'-P-C4' energy: -13.716 flat angles P-C4'-P energy: -6.735 tors. eta vs tors. theta energy: -12.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -136.536261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.536261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.536261 (E_RNA) where: Base-Base interactions energy: -77.490 where: short stacking energy: -48.610 Base-Backbone interact. energy: -0.017 local terms energy: -59.029669 where: bonds (distance) C4'-P energy: -12.364 bonds (distance) P-C4' energy: -15.087 flat angles C4'-P-C4' energy: -15.618 flat angles P-C4'-P energy: -4.649 tors. eta vs tors. theta energy: -11.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -139.228364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.228364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.228364 (E_RNA) where: Base-Base interactions energy: -86.169 where: short stacking energy: -51.258 Base-Backbone interact. energy: -0.326 local terms energy: -52.733500 where: bonds (distance) C4'-P energy: -7.276 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -10.138 flat angles P-C4'-P energy: -7.570 tors. eta vs tors. theta energy: -12.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -122.360101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.360101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.360101 (E_RNA) where: Base-Base interactions energy: -74.411 where: short stacking energy: -46.842 Base-Backbone interact. energy: 0.859 local terms energy: -48.807504 where: bonds (distance) C4'-P energy: -11.353 bonds (distance) P-C4' energy: -10.168 flat angles C4'-P-C4' energy: -12.971 flat angles P-C4'-P energy: -9.754 tors. eta vs tors. theta energy: -4.562 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: 10 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -94.670405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.670405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.670405 (E_RNA) where: Base-Base interactions energy: -39.416 where: short stacking energy: -39.416 Base-Backbone interact. energy: -0.063 local terms energy: -55.191162 where: bonds (distance) C4'-P energy: -13.311 bonds (distance) P-C4' energy: -11.545 flat angles C4'-P-C4' energy: -12.610 flat angles P-C4'-P energy: -5.159 tors. eta vs tors. theta energy: -12.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -83.552303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.552303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.552303 (E_RNA) where: Base-Base interactions energy: -41.335 where: short stacking energy: -40.009 Base-Backbone interact. energy: -0.232 local terms energy: -41.985531 where: bonds (distance) C4'-P energy: -8.705 bonds (distance) P-C4' energy: -9.181 flat angles C4'-P-C4' energy: -9.077 flat angles P-C4'-P energy: -9.180 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: 9, replica: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -77.370700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.370700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.370700 (E_RNA) where: Base-Base interactions energy: -28.145 where: short stacking energy: -27.767 Base-Backbone interact. energy: -0.095 local terms energy: -49.130618 where: bonds (distance) C4'-P energy: -9.949 bonds (distance) P-C4' energy: -13.588 flat angles C4'-P-C4' energy: -10.518 flat angles P-C4'-P energy: -7.367 tors. eta vs tors. theta energy: -7.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -77.419863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.419863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.419863 (E_RNA) where: Base-Base interactions energy: -27.188 where: short stacking energy: -27.188 Base-Backbone interact. energy: -0.001 local terms energy: -50.230708 where: bonds (distance) C4'-P energy: -14.474 bonds (distance) P-C4' energy: -12.557 flat angles C4'-P-C4' energy: -11.090 flat angles P-C4'-P energy: -6.813 tors. eta vs tors. theta energy: -5.297 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: 39 Temperature: 0.900000 Total energy: -161.367668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.367668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.367668 (E_RNA) where: Base-Base interactions energy: -99.034 where: short stacking energy: -63.984 Base-Backbone interact. energy: -0.003 local terms energy: -62.330554 where: bonds (distance) C4'-P energy: -9.590 bonds (distance) P-C4' energy: -10.461 flat angles C4'-P-C4' energy: -14.258 flat angles P-C4'-P energy: -12.416 tors. eta vs tors. theta energy: -15.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -159.815356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.815356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.815356 (E_RNA) where: Base-Base interactions energy: -96.243 where: short stacking energy: -57.673 Base-Backbone interact. energy: -0.413 local terms energy: -63.159912 where: bonds (distance) C4'-P energy: -12.443 bonds (distance) P-C4' energy: -13.422 flat angles C4'-P-C4' energy: -11.684 flat angles P-C4'-P energy: -10.742 tors. eta vs tors. theta energy: -14.869 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: 6 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -141.920956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.920956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.920956 (E_RNA) where: Base-Base interactions energy: -86.373 where: short stacking energy: -52.817 Base-Backbone interact. energy: -0.546 local terms energy: -55.001906 where: bonds (distance) C4'-P energy: -9.821 bonds (distance) P-C4' energy: -13.344 flat angles C4'-P-C4' energy: -13.196 flat angles P-C4'-P energy: -8.206 tors. eta vs tors. theta energy: -10.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -133.321810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.321810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.321810 (E_RNA) where: Base-Base interactions energy: -76.595 where: short stacking energy: -44.012 Base-Backbone interact. energy: -0.024 local terms energy: -56.701930 where: bonds (distance) C4'-P energy: -12.748 bonds (distance) P-C4' energy: -14.563 flat angles C4'-P-C4' energy: -13.848 flat angles P-C4'-P energy: -7.110 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: 5, replica: 3 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -126.866772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.866772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.866772 (E_RNA) where: Base-Base interactions energy: -75.990 where: short stacking energy: -40.340 Base-Backbone interact. energy: 1.021 local terms energy: -51.897806 where: bonds (distance) C4'-P energy: -14.910 bonds (distance) P-C4' energy: -11.925 flat angles C4'-P-C4' energy: -9.429 flat angles P-C4'-P energy: -7.922 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: 6, replica: 10 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -104.184592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.184592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.184592 (E_RNA) where: Base-Base interactions energy: -55.218 where: short stacking energy: -34.933 Base-Backbone interact. energy: -0.198 local terms energy: -48.768878 where: bonds (distance) C4'-P energy: -5.980 bonds (distance) P-C4' energy: -15.799 flat angles C4'-P-C4' energy: -12.508 flat angles P-C4'-P energy: -10.101 tors. eta vs tors. theta energy: -4.381 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: 7, replica: 7 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -89.772937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.772937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.772937 (E_RNA) where: Base-Base interactions energy: -40.629 where: short stacking energy: -30.497 Base-Backbone interact. energy: -0.167 local terms energy: -48.977150 where: bonds (distance) C4'-P energy: -11.971 bonds (distance) P-C4' energy: -12.864 flat angles C4'-P-C4' energy: -9.778 flat angles P-C4'-P energy: -6.467 tors. eta vs tors. theta energy: -7.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -81.579342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.579342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.579342 (E_RNA) where: Base-Base interactions energy: -29.015 where: short stacking energy: -29.015 Base-Backbone interact. energy: -0.164 local terms energy: -52.400474 where: bonds (distance) C4'-P energy: -8.998 bonds (distance) P-C4' energy: -13.800 flat angles C4'-P-C4' energy: -14.356 flat angles P-C4'-P energy: -10.303 tors. eta vs tors. theta energy: -4.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -85.818680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.818680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.818680 (E_RNA) where: Base-Base interactions energy: -35.322 where: short stacking energy: -35.322 Base-Backbone interact. energy: -0.105 local terms energy: -50.390885 where: bonds (distance) C4'-P energy: -11.705 bonds (distance) P-C4' energy: -13.462 flat angles C4'-P-C4' energy: -12.079 flat angles P-C4'-P energy: -8.791 tors. eta vs tors. theta energy: -4.354 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: 2 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -75.996765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.996765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.996765 (E_RNA) where: Base-Base interactions energy: -35.496 where: short stacking energy: -33.502 Base-Backbone interact. energy: -0.049 local terms energy: -40.451938 where: bonds (distance) C4'-P energy: -10.393 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -8.803 flat angles P-C4'-P energy: -10.522 tors. eta vs tors. theta energy: -1.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -158.327126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.327126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.327126 (E_RNA) where: Base-Base interactions energy: -92.785 where: short stacking energy: -59.204 Base-Backbone interact. energy: -0.001 local terms energy: -65.540242 where: bonds (distance) C4'-P energy: -11.693 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -14.636 flat angles P-C4'-P energy: -9.348 tors. eta vs tors. theta energy: -14.140 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: 4 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -158.264490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.264490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.264490 (E_RNA) where: Base-Base interactions energy: -90.804 where: short stacking energy: -58.540 Base-Backbone interact. energy: 0.658 local terms energy: -68.118003 where: bonds (distance) C4'-P energy: -13.978 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -13.924 flat angles P-C4'-P energy: -7.189 tors. eta vs tors. theta energy: -16.825 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: 40 Temperature: 1.000000 Total energy: -152.504550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.504550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.504550 (E_RNA) where: Base-Base interactions energy: -98.122 where: short stacking energy: -58.510 Base-Backbone interact. energy: -0.003 local terms energy: -54.378694 where: bonds (distance) C4'-P energy: -14.214 bonds (distance) P-C4' energy: -13.517 flat angles C4'-P-C4' energy: -10.638 flat angles P-C4'-P energy: -6.654 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: 1 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -133.724580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.724580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.724580 (E_RNA) where: Base-Base interactions energy: -77.671 where: short stacking energy: -49.493 Base-Backbone interact. energy: -0.112 local terms energy: -55.941705 where: bonds (distance) C4'-P energy: -11.316 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -11.522 flat angles P-C4'-P energy: -6.619 tors. eta vs tors. theta energy: -11.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -112.493995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.493995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.493995 (E_RNA) where: Base-Base interactions energy: -55.686 where: short stacking energy: -46.488 Base-Backbone interact. energy: -0.790 local terms energy: -56.017982 where: bonds (distance) C4'-P energy: -10.711 bonds (distance) P-C4' energy: -10.492 flat angles C4'-P-C4' energy: -12.388 flat angles P-C4'-P energy: -10.251 tors. eta vs tors. theta energy: -12.177 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: 3 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -121.631170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.631170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.631170 (E_RNA) where: Base-Base interactions energy: -71.891 where: short stacking energy: -44.937 Base-Backbone interact. energy: -0.519 local terms energy: -49.220395 where: bonds (distance) C4'-P energy: -8.960 bonds (distance) P-C4' energy: -12.733 flat angles C4'-P-C4' energy: -7.972 flat angles P-C4'-P energy: -11.150 tors. eta vs tors. theta energy: -8.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -93.978055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.978055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.978055 (E_RNA) where: Base-Base interactions energy: -38.710 where: short stacking energy: -38.710 Base-Backbone interact. energy: -0.119 local terms energy: -55.149611 where: bonds (distance) C4'-P energy: -13.195 bonds (distance) P-C4' energy: -13.077 flat angles C4'-P-C4' energy: -11.929 flat angles P-C4'-P energy: -6.836 tors. eta vs tors. theta energy: -10.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -86.358137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.358137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.358137 (E_RNA) where: Base-Base interactions energy: -38.154 where: short stacking energy: -34.890 Base-Backbone interact. energy: -0.056 local terms energy: -48.147809 where: bonds (distance) C4'-P energy: -8.174 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -9.018 flat angles P-C4'-P energy: -7.695 tors. eta vs tors. theta energy: -8.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -79.751282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.751282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.751282 (E_RNA) where: Base-Base interactions energy: -32.364 where: short stacking energy: -29.926 Base-Backbone interact. energy: -0.329 local terms energy: -47.057909 where: bonds (distance) C4'-P energy: -14.467 bonds (distance) P-C4' energy: -10.564 flat angles C4'-P-C4' energy: -11.810 flat angles P-C4'-P energy: -11.356 tors. eta vs tors. theta energy: 1.139 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: 8 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -77.719931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.719931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.719931 (E_RNA) where: Base-Base interactions energy: -32.011 where: short stacking energy: -29.160 Base-Backbone interact. energy: 0.544 local terms energy: -46.252466 where: bonds (distance) C4'-P energy: -11.795 bonds (distance) P-C4' energy: -13.420 flat angles C4'-P-C4' energy: -11.778 flat angles P-C4'-P energy: -6.810 tors. eta vs tors. theta energy: -2.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -153.099047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.099047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.099047 (E_RNA) where: Base-Base interactions energy: -90.564 where: short stacking energy: -60.214 Base-Backbone interact. energy: -0.007 local terms energy: -62.527463 where: bonds (distance) C4'-P energy: -14.504 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -12.837 flat angles P-C4'-P energy: -8.986 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: 2, replica: 6 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -153.551620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.551620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.551620 (E_RNA) where: Base-Base interactions energy: -94.486 where: short stacking energy: -61.095 Base-Backbone interact. energy: -0.006 local terms energy: -59.059378 where: bonds (distance) C4'-P energy: -13.371 bonds (distance) P-C4' energy: -8.827 flat angles C4'-P-C4' energy: -13.341 flat angles P-C4'-P energy: -10.251 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: 3, replica: 4 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -148.997974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.997974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.997974 (E_RNA) where: Base-Base interactions energy: -88.930 where: short stacking energy: -53.710 Base-Backbone interact. energy: -0.050 local terms energy: -60.017697 where: bonds (distance) C4'-P energy: -14.429 bonds (distance) P-C4' energy: -10.583 flat angles C4'-P-C4' energy: -11.805 flat angles P-C4'-P energy: -11.140 tors. eta vs tors. theta energy: -12.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -138.625766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.625766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.625766 (E_RNA) where: Base-Base interactions energy: -87.444 where: short stacking energy: -51.726 Base-Backbone interact. energy: -0.019 local terms energy: -51.162994 where: bonds (distance) C4'-P energy: -13.921 bonds (distance) P-C4' energy: -10.702 flat angles C4'-P-C4' energy: -13.352 flat angles P-C4'-P energy: -4.787 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: 5, replica: 10 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -85.605510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.605510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.605510 (E_RNA) where: Base-Base interactions energy: -34.584 where: short stacking energy: -34.584 Base-Backbone interact. energy: 1.052 local terms energy: -52.073203 where: bonds (distance) C4'-P energy: -10.542 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -10.553 flat angles P-C4'-P energy: -10.481 tors. eta vs tors. theta energy: -5.193 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: 3 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -122.560222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.560222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.560222 (E_RNA) where: Base-Base interactions energy: -72.001 where: short stacking energy: -42.617 Base-Backbone interact. energy: 1.284 local terms energy: -51.843646 where: bonds (distance) C4'-P energy: -12.462 bonds (distance) P-C4' energy: -13.162 flat angles C4'-P-C4' energy: -8.885 flat angles P-C4'-P energy: -6.515 tors. eta vs tors. theta energy: -10.819 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: 41 Temperature: 1.200000 Total energy: -81.927381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.927381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.927381 (E_RNA) where: Base-Base interactions energy: -38.738 where: short stacking energy: -24.697 Base-Backbone interact. energy: 0.494 local terms energy: -43.683395 where: bonds (distance) C4'-P energy: -12.923 bonds (distance) P-C4' energy: -13.464 flat angles C4'-P-C4' energy: -9.163 flat angles P-C4'-P energy: -8.867 tors. eta vs tors. theta energy: 0.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -86.897914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.897914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.897914 (E_RNA) where: Base-Base interactions energy: -37.896 where: short stacking energy: -37.896 Base-Backbone interact. energy: -0.186 local terms energy: -48.815837 where: bonds (distance) C4'-P energy: -9.710 bonds (distance) P-C4' energy: -13.255 flat angles C4'-P-C4' energy: -12.226 flat angles P-C4'-P energy: -8.157 tors. eta vs tors. theta energy: -5.467 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: 9 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -98.014576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.014576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.014576 (E_RNA) where: Base-Base interactions energy: -43.134 where: short stacking energy: -41.291 Base-Backbone interact. energy: -0.047 local terms energy: -54.833550 where: bonds (distance) C4'-P energy: -13.805 bonds (distance) P-C4' energy: -14.522 flat angles C4'-P-C4' energy: -9.176 flat angles P-C4'-P energy: -7.326 tors. eta vs tors. theta energy: -10.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -81.375825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.375825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.375825 (E_RNA) where: Base-Base interactions energy: -31.833 where: short stacking energy: -31.223 Base-Backbone interact. energy: -0.049 local terms energy: -49.494063 where: bonds (distance) C4'-P energy: -15.117 bonds (distance) P-C4' energy: -13.487 flat angles C4'-P-C4' energy: -10.171 flat angles P-C4'-P energy: -6.718 tors. eta vs tors. theta energy: -4.001 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: 5 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -148.739242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.739242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.739242 (E_RNA) where: Base-Base interactions energy: -93.917 where: short stacking energy: -58.189 Base-Backbone interact. energy: -0.004 local terms energy: -54.817953 where: bonds (distance) C4'-P energy: -10.175 bonds (distance) P-C4' energy: -12.082 flat angles C4'-P-C4' energy: -11.592 flat angles P-C4'-P energy: -7.521 tors. eta vs tors. theta energy: -13.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -143.953109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.953109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.953109 (E_RNA) where: Base-Base interactions energy: -80.997 where: short stacking energy: -52.294 Base-Backbone interact. energy: -0.287 local terms energy: -62.668778 where: bonds (distance) C4'-P energy: -13.208 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -12.158 flat angles P-C4'-P energy: -10.121 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: 1 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -146.374038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.374038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.374038 (E_RNA) where: Base-Base interactions energy: -91.409 where: short stacking energy: -54.409 Base-Backbone interact. energy: 1.379 local terms energy: -56.343973 where: bonds (distance) C4'-P energy: -7.748 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -11.138 flat angles P-C4'-P energy: -11.617 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: 4, replica: 4 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -134.531814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.531814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.531814 (E_RNA) where: Base-Base interactions energy: -78.053 where: short stacking energy: -43.719 Base-Backbone interact. energy: -0.107 local terms energy: -56.371584 where: bonds (distance) C4'-P energy: -9.051 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -13.877 flat angles P-C4'-P energy: -9.724 tors. eta vs tors. theta energy: -9.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -137.173603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.173603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.173603 (E_RNA) where: Base-Base interactions energy: -75.393 where: short stacking energy: -46.697 Base-Backbone interact. energy: -0.052 local terms energy: -61.729024 where: bonds (distance) C4'-P energy: -11.345 bonds (distance) P-C4' energy: -15.981 flat angles C4'-P-C4' energy: -13.800 flat angles P-C4'-P energy: -9.414 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: 10 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -126.191815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.191815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.191815 (E_RNA) where: Base-Base interactions energy: -83.327 where: short stacking energy: -48.156 Base-Backbone interact. energy: -0.019 local terms energy: -42.845878 where: bonds (distance) C4'-P energy: -10.749 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.920 flat angles P-C4'-P energy: -6.115 tors. eta vs tors. theta energy: -8.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -83.589765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.589765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.589765 (E_RNA) where: Base-Base interactions energy: -48.295 where: short stacking energy: -44.335 Base-Backbone interact. energy: -0.017 local terms energy: -35.277884 where: bonds (distance) C4'-P energy: -6.517 bonds (distance) P-C4' energy: -10.041 flat angles C4'-P-C4' energy: -8.182 flat angles P-C4'-P energy: -7.526 tors. eta vs tors. theta energy: -3.011 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: 7 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -84.855330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.855330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.855330 (E_RNA) where: Base-Base interactions energy: -37.930 where: short stacking energy: -27.982 Base-Backbone interact. energy: 0.490 local terms energy: -47.415128 where: bonds (distance) C4'-P energy: -12.818 bonds (distance) P-C4' energy: -9.757 flat angles C4'-P-C4' energy: -10.965 flat angles P-C4'-P energy: -10.147 tors. eta vs tors. theta energy: -3.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -70.551574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.551574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.551574 (E_RNA) where: Base-Base interactions energy: -26.032 where: short stacking energy: -26.032 Base-Backbone interact. energy: -0.141 local terms energy: -44.378033 where: bonds (distance) C4'-P energy: -8.893 bonds (distance) P-C4' energy: -11.882 flat angles C4'-P-C4' energy: -13.783 flat angles P-C4'-P energy: -7.016 tors. eta vs tors. theta energy: -2.804 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: 42 Temperature: 1.350000 Total energy: -81.212490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.212490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.212490 (E_RNA) where: Base-Base interactions energy: -36.020 where: short stacking energy: -36.020 Base-Backbone interact. energy: 2.150 local terms energy: -47.342260 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -12.376 flat angles C4'-P-C4' energy: -12.664 flat angles P-C4'-P energy: -10.710 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: 5 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -153.437875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.437875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.437875 (E_RNA) where: Base-Base interactions energy: -93.466 where: short stacking energy: -61.534 Base-Backbone interact. energy: -0.000 local terms energy: -59.971788 where: bonds (distance) C4'-P energy: -14.342 bonds (distance) P-C4' energy: -13.511 flat angles C4'-P-C4' energy: -12.378 flat angles P-C4'-P energy: -8.201 tors. eta vs tors. theta energy: -11.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -145.053866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.053866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.053866 (E_RNA) where: Base-Base interactions energy: -83.773 where: short stacking energy: -52.021 Base-Backbone interact. energy: -0.293 local terms energy: -60.987828 where: bonds (distance) C4'-P energy: -14.993 bonds (distance) P-C4' energy: -13.163 flat angles C4'-P-C4' energy: -12.965 flat angles P-C4'-P energy: -7.344 tors. eta vs tors. theta energy: -12.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -150.983350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.983350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.983350 (E_RNA) where: Base-Base interactions energy: -91.845 where: short stacking energy: -58.153 Base-Backbone interact. energy: -0.003 local terms energy: -59.136008 where: bonds (distance) C4'-P energy: -9.855 bonds (distance) P-C4' energy: -11.842 flat angles C4'-P-C4' energy: -10.777 flat angles P-C4'-P energy: -9.745 tors. eta vs tors. theta energy: -16.918 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: 4 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -125.945791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.945791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.945791 (E_RNA) where: Base-Base interactions energy: -72.265 where: short stacking energy: -41.897 Base-Backbone interact. energy: -0.150 local terms energy: -53.530859 where: bonds (distance) C4'-P energy: -11.458 bonds (distance) P-C4' energy: -11.122 flat angles C4'-P-C4' energy: -13.608 flat angles P-C4'-P energy: -9.575 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: 3 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -130.801455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.801455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.801455 (E_RNA) where: Base-Base interactions energy: -76.507 where: short stacking energy: -47.354 Base-Backbone interact. energy: 0.876 local terms energy: -55.170407 where: bonds (distance) C4'-P energy: -10.418 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -15.494 flat angles P-C4'-P energy: -7.076 tors. eta vs tors. theta energy: -8.884 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: 10 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -117.187092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.187092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.187092 (E_RNA) where: Base-Base interactions energy: -66.029 where: short stacking energy: -37.878 Base-Backbone interact. energy: 0.803 local terms energy: -51.961640 where: bonds (distance) C4'-P energy: -12.975 bonds (distance) P-C4' energy: -12.136 flat angles C4'-P-C4' energy: -11.972 flat angles P-C4'-P energy: -8.842 tors. eta vs tors. theta energy: -6.036 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: 43 Temperature: 1.200000 Total energy: -87.922211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.922211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.922211 (E_RNA) where: Base-Base interactions energy: -40.956 where: short stacking energy: -36.355 Base-Backbone interact. energy: -0.693 local terms energy: -46.273098 where: bonds (distance) C4'-P energy: -11.441 bonds (distance) P-C4' energy: -12.676 flat angles C4'-P-C4' energy: -9.977 flat angles P-C4'-P energy: -8.589 tors. eta vs tors. theta energy: -3.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -77.581998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.581998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.581998 (E_RNA) where: Base-Base interactions energy: -28.542 where: short stacking energy: -24.957 Base-Backbone interact. energy: -0.768 local terms energy: -48.272078 where: bonds (distance) C4'-P energy: -11.581 bonds (distance) P-C4' energy: -12.355 flat angles C4'-P-C4' energy: -10.234 flat angles P-C4'-P energy: -9.653 tors. eta vs tors. theta energy: -4.449 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: 8 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -77.068493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.068493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.068493 (E_RNA) where: Base-Base interactions energy: -33.453 where: short stacking energy: -24.997 Base-Backbone interact. energy: -1.029 local terms energy: -42.586491 where: bonds (distance) C4'-P energy: -4.659 bonds (distance) P-C4' energy: -12.596 flat angles C4'-P-C4' energy: -12.126 flat angles P-C4'-P energy: -10.041 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: 10, replica: 9 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -74.420962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.420962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.420962 (E_RNA) where: Base-Base interactions energy: -31.606 where: short stacking energy: -30.485 Base-Backbone interact. energy: -0.096 local terms energy: -42.718580 where: bonds (distance) C4'-P energy: -13.588 bonds (distance) P-C4' energy: -12.915 flat angles C4'-P-C4' energy: -13.223 flat angles P-C4'-P energy: -0.808 tors. eta vs tors. theta energy: -2.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -158.287546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.287546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.287546 (E_RNA) where: Base-Base interactions energy: -93.888 where: short stacking energy: -64.298 Base-Backbone interact. energy: -0.081 local terms energy: -64.318165 where: bonds (distance) C4'-P energy: -14.316 bonds (distance) P-C4' energy: -13.280 flat angles C4'-P-C4' energy: -13.342 flat angles P-C4'-P energy: -6.061 tors. eta vs tors. theta energy: -17.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -150.950476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.950476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.950476 (E_RNA) where: Base-Base interactions energy: -93.266 where: short stacking energy: -59.221 Base-Backbone interact. energy: 2.278 local terms energy: -59.962489 where: bonds (distance) C4'-P energy: -15.419 bonds (distance) P-C4' energy: -13.853 flat angles C4'-P-C4' energy: -11.545 flat angles P-C4'-P energy: -8.150 tors. eta vs tors. theta energy: -10.996 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: 4 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -147.232897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.232897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.232897 (E_RNA) where: Base-Base interactions energy: -85.934 where: short stacking energy: -53.583 Base-Backbone interact. energy: -0.648 local terms energy: -60.650812 where: bonds (distance) C4'-P energy: -13.236 bonds (distance) P-C4' energy: -12.253 flat angles C4'-P-C4' energy: -14.812 flat angles P-C4'-P energy: -8.707 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: 4, replica: 6 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -141.362043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.362043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.362043 (E_RNA) where: Base-Base interactions energy: -83.082 where: short stacking energy: -55.489 Base-Backbone interact. energy: -0.182 local terms energy: -58.097718 where: bonds (distance) C4'-P energy: -10.629 bonds (distance) P-C4' energy: -13.100 flat angles C4'-P-C4' energy: -11.983 flat angles P-C4'-P energy: -10.007 tors. eta vs tors. theta energy: -12.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -135.062568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.062568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.062568 (E_RNA) where: Base-Base interactions energy: -76.875 where: short stacking energy: -49.465 Base-Backbone interact. energy: -0.005 local terms energy: -58.182855 where: bonds (distance) C4'-P energy: -12.495 bonds (distance) P-C4' energy: -11.234 flat angles C4'-P-C4' energy: -14.802 flat angles P-C4'-P energy: -9.898 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: 3 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -129.487617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.487617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.487617 (E_RNA) where: Base-Base interactions energy: -72.905 where: short stacking energy: -56.498 Base-Backbone interact. energy: -0.036 local terms energy: -56.546766 where: bonds (distance) C4'-P energy: -10.943 bonds (distance) P-C4' energy: -13.796 flat angles C4'-P-C4' energy: -14.515 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -12.941 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: 7 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -98.123869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.123869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.123869 (E_RNA) where: Base-Base interactions energy: -49.425 where: short stacking energy: -35.796 Base-Backbone interact. energy: -0.038 local terms energy: -48.660213 where: bonds (distance) C4'-P energy: -8.215 bonds (distance) P-C4' energy: -12.103 flat angles C4'-P-C4' energy: -10.769 flat angles P-C4'-P energy: -7.833 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: 8, replica: 2 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -83.124231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.124231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.124231 (E_RNA) where: Base-Base interactions energy: -34.941 where: short stacking energy: -27.355 Base-Backbone interact. energy: -0.141 local terms energy: -48.042056 where: bonds (distance) C4'-P energy: -9.958 bonds (distance) P-C4' energy: -15.438 flat angles C4'-P-C4' energy: -11.589 flat angles P-C4'-P energy: -8.294 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: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -81.213807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.213807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.213807 (E_RNA) where: Base-Base interactions energy: -36.125 where: short stacking energy: -35.130 Base-Backbone interact. energy: -0.099 local terms energy: -44.989668 where: bonds (distance) C4'-P energy: -13.875 bonds (distance) P-C4' energy: -10.158 flat angles C4'-P-C4' energy: -9.214 flat angles P-C4'-P energy: -8.269 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: 10, replica: 8 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -80.111022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.111022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.111022 (E_RNA) where: Base-Base interactions energy: -34.359 where: short stacking energy: -32.693 Base-Backbone interact. energy: -0.151 local terms energy: -45.601444 where: bonds (distance) C4'-P energy: -12.699 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -12.030 flat angles P-C4'-P energy: -0.217 tors. eta vs tors. theta energy: -6.288 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: 1 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -142.237291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.237291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.237291 (E_RNA) where: Base-Base interactions energy: -86.306 where: short stacking energy: -54.095 Base-Backbone interact. energy: -0.524 local terms energy: -55.406984 where: bonds (distance) C4'-P energy: -11.443 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -13.265 flat angles P-C4'-P energy: -5.069 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: 5 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -143.038926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.038926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.038926 (E_RNA) where: Base-Base interactions energy: -85.380 where: short stacking energy: -55.070 Base-Backbone interact. energy: -0.025 local terms energy: -57.634702 where: bonds (distance) C4'-P energy: -12.430 bonds (distance) P-C4' energy: -13.473 flat angles C4'-P-C4' energy: -12.336 flat angles P-C4'-P energy: -8.265 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: 3, replica: 4 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -142.617021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.617021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.617021 (E_RNA) where: Base-Base interactions energy: -82.982 where: short stacking energy: -52.576 Base-Backbone interact. energy: -0.005 local terms energy: -59.629970 where: bonds (distance) C4'-P energy: -13.153 bonds (distance) P-C4' energy: -14.090 flat angles C4'-P-C4' energy: -13.107 flat angles P-C4'-P energy: -8.469 tors. eta vs tors. theta energy: -10.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -145.012529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.012529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.012529 (E_RNA) where: Base-Base interactions energy: -88.404 where: short stacking energy: -55.084 Base-Backbone interact. energy: -0.595 local terms energy: -56.014000 where: bonds (distance) C4'-P energy: -11.469 bonds (distance) P-C4' energy: -13.572 flat angles C4'-P-C4' energy: -10.652 flat angles P-C4'-P energy: -7.110 tors. eta vs tors. theta energy: -13.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -138.248692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.248692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.248692 (E_RNA) where: Base-Base interactions energy: -79.355 where: short stacking energy: -53.150 Base-Backbone interact. energy: -0.318 local terms energy: -58.575459 where: bonds (distance) C4'-P energy: -12.716 bonds (distance) P-C4' energy: -12.514 flat angles C4'-P-C4' energy: -12.119 flat angles P-C4'-P energy: -9.357 tors. eta vs tors. theta energy: -11.869 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: 3 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -136.137678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.137678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.137678 (E_RNA) where: Base-Base interactions energy: -77.802 where: short stacking energy: -47.251 Base-Backbone interact. energy: -0.001 local terms energy: -58.335336 where: bonds (distance) C4'-P energy: -14.281 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -12.321 flat angles P-C4'-P energy: -8.166 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: 7, replica: 7 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -92.975118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.975118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.975118 (E_RNA) where: Base-Base interactions energy: -43.436 where: short stacking energy: -43.223 Base-Backbone interact. energy: -0.185 local terms energy: -49.354311 where: bonds (distance) C4'-P energy: -13.249 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -10.654 flat angles P-C4'-P energy: -5.653 tors. eta vs tors. theta energy: -6.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -102.671267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.671267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.671267 (E_RNA) where: Base-Base interactions energy: -44.584 where: short stacking energy: -44.584 Base-Backbone interact. energy: -0.126 local terms energy: -57.962075 where: bonds (distance) C4'-P energy: -13.294 bonds (distance) P-C4' energy: -14.491 flat angles C4'-P-C4' energy: -13.670 flat angles P-C4'-P energy: -7.001 tors. eta vs tors. theta energy: -9.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -73.616369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.616369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.616369 (E_RNA) where: Base-Base interactions energy: -30.983 where: short stacking energy: -30.983 Base-Backbone interact. energy: -0.007 local terms energy: -42.626388 where: bonds (distance) C4'-P energy: -9.726 bonds (distance) P-C4' energy: -12.150 flat angles C4'-P-C4' energy: -12.459 flat angles P-C4'-P energy: -4.331 tors. eta vs tors. theta energy: -3.960 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: 8 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -68.209202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.209202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.209202 (E_RNA) where: Base-Base interactions energy: -25.645 where: short stacking energy: -25.645 Base-Backbone interact. energy: -0.167 local terms energy: -42.396739 where: bonds (distance) C4'-P energy: -12.873 bonds (distance) P-C4' energy: -12.706 flat angles C4'-P-C4' energy: -12.299 flat angles P-C4'-P energy: -5.940 tors. eta vs tors. theta energy: 1.421 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: 5 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -161.852577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.852577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.852577 (E_RNA) where: Base-Base interactions energy: -95.730 where: short stacking energy: -57.925 Base-Backbone interact. energy: -0.003 local terms energy: -66.119971 where: bonds (distance) C4'-P energy: -11.589 bonds (distance) P-C4' energy: -13.473 flat angles C4'-P-C4' energy: -13.421 flat angles P-C4'-P energy: -12.120 tors. eta vs tors. theta energy: -15.516 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: 2, replica: 1 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -147.135566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.135566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.135566 (E_RNA) where: Base-Base interactions energy: -89.583 where: short stacking energy: -58.249 Base-Backbone interact. energy: 0.070 local terms energy: -57.623140 where: bonds (distance) C4'-P energy: -13.970 bonds (distance) P-C4' energy: -11.887 flat angles C4'-P-C4' energy: -12.443 flat angles P-C4'-P energy: -7.429 tors. eta vs tors. theta energy: -11.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -139.510737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.510737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.510737 (E_RNA) where: Base-Base interactions energy: -86.813 where: short stacking energy: -54.233 Base-Backbone interact. energy: -0.154 local terms energy: -52.543510 where: bonds (distance) C4'-P energy: -12.178 bonds (distance) P-C4' energy: -10.421 flat angles C4'-P-C4' energy: -12.164 flat angles P-C4'-P energy: -6.653 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: 4 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -157.780393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.780393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.780393 (E_RNA) where: Base-Base interactions energy: -94.740 where: short stacking energy: -61.910 Base-Backbone interact. energy: -0.013 local terms energy: -63.027375 where: bonds (distance) C4'-P energy: -11.133 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -13.086 flat angles P-C4'-P energy: -9.810 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: 5, replica: 6 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -131.634968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.634968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.634968 (E_RNA) where: Base-Base interactions energy: -74.618 where: short stacking energy: -52.407 Base-Backbone interact. energy: -0.658 local terms energy: -56.359096 where: bonds (distance) C4'-P energy: -12.889 bonds (distance) P-C4' energy: -13.797 flat angles C4'-P-C4' energy: -9.686 flat angles P-C4'-P energy: -8.361 tors. eta vs tors. theta energy: -11.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -125.682975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.682975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.682975 (E_RNA) where: Base-Base interactions energy: -77.684 where: short stacking energy: -44.724 Base-Backbone interact. energy: 0.484 local terms energy: -48.483317 where: bonds (distance) C4'-P energy: -11.503 bonds (distance) P-C4' energy: -10.514 flat angles C4'-P-C4' energy: -12.767 flat angles P-C4'-P energy: -10.437 tors. eta vs tors. theta energy: -3.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -101.046937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.046937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.046937 (E_RNA) where: Base-Base interactions energy: -52.079 where: short stacking energy: -47.522 Base-Backbone interact. energy: 0.162 local terms energy: -49.129411 where: bonds (distance) C4'-P energy: -8.807 bonds (distance) P-C4' energy: -12.814 flat angles C4'-P-C4' energy: -8.915 flat angles P-C4'-P energy: -7.528 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: 8, replica: 7 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -81.025955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.025955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.025955 (E_RNA) where: Base-Base interactions energy: -32.936 where: short stacking energy: -32.936 Base-Backbone interact. energy: 0.493 local terms energy: -48.582959 where: bonds (distance) C4'-P energy: -7.060 bonds (distance) P-C4' energy: -14.946 flat angles C4'-P-C4' energy: -11.123 flat angles P-C4'-P energy: -8.763 tors. eta vs tors. theta energy: -6.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -80.423195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.423195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.423195 (E_RNA) where: Base-Base interactions energy: -32.864 where: short stacking energy: -27.365 Base-Backbone interact. energy: 0.418 local terms energy: -47.976772 where: bonds (distance) C4'-P energy: -10.646 bonds (distance) P-C4' energy: -12.982 flat angles C4'-P-C4' energy: -12.410 flat angles P-C4'-P energy: -8.488 tors. eta vs tors. theta energy: -3.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -74.046465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.046465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.046465 (E_RNA) where: Base-Base interactions energy: -30.250 where: short stacking energy: -31.334 Base-Backbone interact. energy: -0.455 local terms energy: -43.341375 where: bonds (distance) C4'-P energy: -14.069 bonds (distance) P-C4' energy: -8.722 flat angles C4'-P-C4' energy: -9.778 flat angles P-C4'-P energy: -8.131 tors. eta vs tors. theta energy: -2.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -158.183085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.183085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.183085 (E_RNA) where: Base-Base interactions energy: -92.789 where: short stacking energy: -54.309 Base-Backbone interact. energy: -0.030 local terms energy: -65.363864 where: bonds (distance) C4'-P energy: -12.410 bonds (distance) P-C4' energy: -14.670 flat angles C4'-P-C4' energy: -13.351 flat angles P-C4'-P energy: -9.487 tors. eta vs tors. theta energy: -15.446 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: 1 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -156.464383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.464383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.464383 (E_RNA) where: Base-Base interactions energy: -94.198 where: short stacking energy: -62.087 Base-Backbone interact. energy: -0.154 local terms energy: -62.112301 where: bonds (distance) C4'-P energy: -12.355 bonds (distance) P-C4' energy: -15.483 flat angles C4'-P-C4' energy: -12.574 flat angles P-C4'-P energy: -8.538 tors. eta vs tors. theta energy: -13.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -145.571842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.571842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.571842 (E_RNA) where: Base-Base interactions energy: -88.991 where: short stacking energy: -52.156 Base-Backbone interact. energy: -0.723 local terms energy: -55.858405 where: bonds (distance) C4'-P energy: -14.168 bonds (distance) P-C4' energy: -12.643 flat angles C4'-P-C4' energy: -11.965 flat angles P-C4'-P energy: -9.227 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: 4, replica: 4 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -150.876856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.876856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.876856 (E_RNA) where: Base-Base interactions energy: -92.777 where: short stacking energy: -54.300 Base-Backbone interact. energy: -0.111 local terms energy: -57.989100 where: bonds (distance) C4'-P energy: -11.717 bonds (distance) P-C4' energy: -11.514 flat angles C4'-P-C4' energy: -12.112 flat angles P-C4'-P energy: -7.775 tors. eta vs tors. theta energy: -14.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -118.762974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.762974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.762974 (E_RNA) where: Base-Base interactions energy: -65.699 where: short stacking energy: -33.482 Base-Backbone interact. energy: -0.007 local terms energy: -53.057089 where: bonds (distance) C4'-P energy: -12.754 bonds (distance) P-C4' energy: -13.721 flat angles C4'-P-C4' energy: -11.515 flat angles P-C4'-P energy: -9.217 tors. eta vs tors. theta energy: -5.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -111.500240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.500240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.500240 (E_RNA) where: Base-Base interactions energy: -71.570 where: short stacking energy: -38.921 Base-Backbone interact. energy: 1.635 local terms energy: -41.564798 where: bonds (distance) C4'-P energy: -11.275 bonds (distance) P-C4' energy: -7.674 flat angles C4'-P-C4' energy: -11.923 flat angles P-C4'-P energy: -6.964 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: 7, replica: 9 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -83.629313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.629313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.629313 (E_RNA) where: Base-Base interactions energy: -31.549 where: short stacking energy: -31.549 Base-Backbone interact. energy: 0.381 local terms energy: -52.461763 where: bonds (distance) C4'-P energy: -14.077 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -9.663 flat angles P-C4'-P energy: -6.399 tors. eta vs tors. theta energy: -7.511 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: 7 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -98.406665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.406665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.406665 (E_RNA) where: Base-Base interactions energy: -48.591 where: short stacking energy: -46.081 Base-Backbone interact. energy: -0.095 local terms energy: -49.721006 where: bonds (distance) C4'-P energy: -7.813 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -10.935 flat angles P-C4'-P energy: -5.547 tors. eta vs tors. theta energy: -10.802 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: 9, replica: 8 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -89.049734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.049734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.049734 (E_RNA) where: Base-Base interactions energy: -36.483 where: short stacking energy: -36.483 Base-Backbone interact. energy: -0.227 local terms energy: -52.340258 where: bonds (distance) C4'-P energy: -12.820 bonds (distance) P-C4' energy: -11.821 flat angles C4'-P-C4' energy: -12.087 flat angles P-C4'-P energy: -7.930 tors. eta vs tors. theta energy: -7.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -77.788581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.788581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.788581 (E_RNA) where: Base-Base interactions energy: -29.243 where: short stacking energy: -29.782 Base-Backbone interact. energy: -0.005 local terms energy: -48.540645 where: bonds (distance) C4'-P energy: -8.115 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -11.817 flat angles P-C4'-P energy: -12.196 tors. eta vs tors. theta energy: -3.385 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: 48 Temperature: 0.900000 Total energy: -150.132964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.132964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.132964 (E_RNA) where: Base-Base interactions energy: -85.209 where: short stacking energy: -58.771 Base-Backbone interact. energy: -0.877 local terms energy: -64.047160 where: bonds (distance) C4'-P energy: -15.196 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -12.421 flat angles P-C4'-P energy: -7.990 tors. eta vs tors. theta energy: -13.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -155.418571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.418571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.418571 (E_RNA) where: Base-Base interactions energy: -92.112 where: short stacking energy: -63.799 Base-Backbone interact. energy: -0.028 local terms energy: -63.279010 where: bonds (distance) C4'-P energy: -13.919 bonds (distance) P-C4' energy: -13.940 flat angles C4'-P-C4' energy: -14.484 flat angles P-C4'-P energy: -9.079 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: 48 Temperature: 1.000000 Total energy: -142.349619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.349619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.349619 (E_RNA) where: Base-Base interactions energy: -87.188 where: short stacking energy: -57.136 Base-Backbone interact. energy: -1.743 local terms energy: -53.418931 where: bonds (distance) C4'-P energy: -9.003 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -8.909 flat angles P-C4'-P energy: -9.808 tors. eta vs tors. theta energy: -13.093 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: 4, replica: 10 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -137.399552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.399552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.399552 (E_RNA) where: Base-Base interactions energy: -78.794 where: short stacking energy: -52.333 Base-Backbone interact. energy: -0.067 local terms energy: -58.537913 where: bonds (distance) C4'-P energy: -10.974 bonds (distance) P-C4' energy: -13.060 flat angles C4'-P-C4' energy: -12.935 flat angles P-C4'-P energy: -8.966 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: 3 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -131.603101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.603101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.603101 (E_RNA) where: Base-Base interactions energy: -77.468 where: short stacking energy: -42.375 Base-Backbone interact. energy: -0.149 local terms energy: -53.986502 where: bonds (distance) C4'-P energy: -13.138 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -13.175 flat angles P-C4'-P energy: -7.069 tors. eta vs tors. theta energy: -7.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -103.133790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.133790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.133790 (E_RNA) where: Base-Base interactions energy: -57.340 where: short stacking energy: -44.249 Base-Backbone interact. energy: -0.181 local terms energy: -45.612579 where: bonds (distance) C4'-P energy: -9.440 bonds (distance) P-C4' energy: -11.731 flat angles C4'-P-C4' energy: -12.285 flat angles P-C4'-P energy: -7.022 tors. eta vs tors. theta energy: -5.135 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: 7, replica: 7 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -85.885593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.885593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.885593 (E_RNA) where: Base-Base interactions energy: -49.128 where: short stacking energy: -29.594 Base-Backbone interact. energy: -0.263 local terms energy: -36.494367 where: bonds (distance) C4'-P energy: -12.301 bonds (distance) P-C4' energy: -8.685 flat angles C4'-P-C4' energy: -12.534 flat angles P-C4'-P energy: -1.016 tors. eta vs tors. theta energy: -1.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -92.975965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.975965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.975965 (E_RNA) where: Base-Base interactions energy: -44.501 where: short stacking energy: -42.039 Base-Backbone interact. energy: -0.007 local terms energy: -48.468030 where: bonds (distance) C4'-P energy: -11.287 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -10.098 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -9.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -74.519475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.519475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.519475 (E_RNA) where: Base-Base interactions energy: -34.516 where: short stacking energy: -27.074 Base-Backbone interact. energy: -0.927 local terms energy: -39.076502 where: bonds (distance) C4'-P energy: -8.749 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -10.619 flat angles P-C4'-P energy: -10.466 tors. eta vs tors. theta energy: -0.351 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: 10, replica: 8 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -73.576957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.576957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.576957 (E_RNA) where: Base-Base interactions energy: -37.788 where: short stacking energy: -34.501 Base-Backbone interact. energy: -0.030 local terms energy: -35.759318 where: bonds (distance) C4'-P energy: -6.886 bonds (distance) P-C4' energy: -10.557 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: -5.606 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: 5 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -162.954366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.954366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.954366 (E_RNA) where: Base-Base interactions energy: -91.759 where: short stacking energy: -64.274 Base-Backbone interact. energy: -0.003 local terms energy: -71.192958 where: bonds (distance) C4'-P energy: -12.719 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -15.892 flat angles P-C4'-P energy: -9.133 tors. eta vs tors. theta energy: -19.251 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: 49 Temperature: 0.950000 Total energy: -149.537650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.537650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.537650 (E_RNA) where: Base-Base interactions energy: -91.871 where: short stacking energy: -47.712 Base-Backbone interact. energy: -0.167 local terms energy: -57.499754 where: bonds (distance) C4'-P energy: -13.172 bonds (distance) P-C4' energy: -14.293 flat angles C4'-P-C4' energy: -10.343 flat angles P-C4'-P energy: -6.670 tors. eta vs tors. theta energy: -13.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -148.355989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.355989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.355989 (E_RNA) where: Base-Base interactions energy: -83.201 where: short stacking energy: -49.434 Base-Backbone interact. energy: -0.166 local terms energy: -64.988983 where: bonds (distance) C4'-P energy: -13.241 bonds (distance) P-C4' energy: -14.428 flat angles C4'-P-C4' energy: -14.353 flat angles P-C4'-P energy: -7.165 tors. eta vs tors. theta energy: -15.802 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: 3 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -146.660703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.660703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.660703 (E_RNA) where: Base-Base interactions energy: -92.724 where: short stacking energy: -58.030 Base-Backbone interact. energy: 0.458 local terms energy: -54.394468 where: bonds (distance) C4'-P energy: -11.609 bonds (distance) P-C4' energy: -13.281 flat angles C4'-P-C4' energy: -12.660 flat angles P-C4'-P energy: -4.206 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: 5, replica: 10 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -137.862470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.862470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.862470 (E_RNA) where: Base-Base interactions energy: -80.443 where: short stacking energy: -43.273 Base-Backbone interact. energy: 0.439 local terms energy: -57.858054 where: bonds (distance) C4'-P energy: -9.780 bonds (distance) P-C4' energy: -12.425 flat angles C4'-P-C4' energy: -14.881 flat angles P-C4'-P energy: -8.787 tors. eta vs tors. theta energy: -11.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -90.526835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.526835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.526835 (E_RNA) where: Base-Base interactions energy: -42.212 where: short stacking energy: -32.023 Base-Backbone interact. energy: -0.500 local terms energy: -47.814540 where: bonds (distance) C4'-P energy: -9.540 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -11.877 flat angles P-C4'-P energy: -10.670 tors. eta vs tors. theta energy: -1.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -89.997699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.997699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.997699 (E_RNA) where: Base-Base interactions energy: -46.833 where: short stacking energy: -46.437 Base-Backbone interact. energy: -0.051 local terms energy: -43.113332 where: bonds (distance) C4'-P energy: -8.794 bonds (distance) P-C4' energy: -10.343 flat angles C4'-P-C4' energy: -11.379 flat angles P-C4'-P energy: -5.633 tors. eta vs tors. theta energy: -6.964 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: 2 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -98.035518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.035518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.035518 (E_RNA) where: Base-Base interactions energy: -42.599 where: short stacking energy: -42.494 Base-Backbone interact. energy: -0.180 local terms energy: -55.257288 where: bonds (distance) C4'-P energy: -10.037 bonds (distance) P-C4' energy: -14.886 flat angles C4'-P-C4' energy: -14.434 flat angles P-C4'-P energy: -6.760 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: 9, replica: 9 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -76.131215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.131215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.131215 (E_RNA) where: Base-Base interactions energy: -26.887 where: short stacking energy: -26.887 Base-Backbone interact. energy: -0.124 local terms energy: -49.119708 where: bonds (distance) C4'-P energy: -13.109 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -13.998 flat angles P-C4'-P energy: -6.846 tors. eta vs tors. theta energy: -5.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -71.381262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.381262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.381262 (E_RNA) where: Base-Base interactions energy: -29.920 where: short stacking energy: -29.008 Base-Backbone interact. energy: -0.034 local terms energy: -41.427391 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -9.157 flat angles C4'-P-C4' energy: -11.472 flat angles P-C4'-P energy: -6.586 tors. eta vs tors. theta energy: -7.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -151.819897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.819897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.819897 (E_RNA) where: Base-Base interactions energy: -91.408 where: short stacking energy: -51.227 Base-Backbone interact. energy: 0.110 local terms energy: -60.522458 where: bonds (distance) C4'-P energy: -12.967 bonds (distance) P-C4' energy: -12.300 flat angles C4'-P-C4' energy: -12.962 flat angles P-C4'-P energy: -10.562 tors. eta vs tors. theta energy: -11.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -162.555488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.555488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.555488 (E_RNA) where: Base-Base interactions energy: -103.463 where: short stacking energy: -60.547 Base-Backbone interact. energy: -0.010 local terms energy: -59.082181 where: bonds (distance) C4'-P energy: -11.759 bonds (distance) P-C4' energy: -12.895 flat angles C4'-P-C4' energy: -10.998 flat angles P-C4'-P energy: -7.408 tors. eta vs tors. theta energy: -16.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -149.531880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.531880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.531880 (E_RNA) where: Base-Base interactions energy: -87.253 where: short stacking energy: -58.662 Base-Backbone interact. energy: -0.003 local terms energy: -62.275912 where: bonds (distance) C4'-P energy: -13.184 bonds (distance) P-C4' energy: -13.873 flat angles C4'-P-C4' energy: -13.036 flat angles P-C4'-P energy: -8.870 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: 4, replica: 1 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -141.313555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.313555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.313555 (E_RNA) where: Base-Base interactions energy: -95.586 where: short stacking energy: -58.600 Base-Backbone interact. energy: -0.032 local terms energy: -45.696390 where: bonds (distance) C4'-P energy: -12.400 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -10.778 flat angles P-C4'-P energy: -4.536 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: 10 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -140.307642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.307642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.307642 (E_RNA) where: Base-Base interactions energy: -88.692 where: short stacking energy: -51.665 Base-Backbone interact. energy: -0.270 local terms energy: -51.345390 where: bonds (distance) C4'-P energy: -11.511 bonds (distance) P-C4' energy: -15.231 flat angles C4'-P-C4' energy: -13.416 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -6.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -108.458988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.458988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.458988 (E_RNA) where: Base-Base interactions energy: -54.743 where: short stacking energy: -54.743 Base-Backbone interact. energy: -0.077 local terms energy: -53.639657 where: bonds (distance) C4'-P energy: -11.999 bonds (distance) P-C4' energy: -11.877 flat angles C4'-P-C4' energy: -13.126 flat angles P-C4'-P energy: -7.499 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: 7, replica: 2 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -93.174219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.174219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.174219 (E_RNA) where: Base-Base interactions energy: -43.259 where: short stacking energy: -40.870 Base-Backbone interact. energy: -0.153 local terms energy: -49.762521 where: bonds (distance) C4'-P energy: -12.869 bonds (distance) P-C4' energy: -13.982 flat angles C4'-P-C4' energy: -12.035 flat angles P-C4'-P energy: -3.284 tors. eta vs tors. theta energy: -7.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -84.646877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.646877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.646877 (E_RNA) where: Base-Base interactions energy: -31.472 where: short stacking energy: -31.314 Base-Backbone interact. energy: 0.203 local terms energy: -53.377794 where: bonds (distance) C4'-P energy: -13.325 bonds (distance) P-C4' energy: -12.451 flat angles C4'-P-C4' energy: -12.964 flat angles P-C4'-P energy: -9.010 tors. eta vs tors. theta energy: -5.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -80.996175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.996175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.996175 (E_RNA) where: Base-Base interactions energy: -32.554 where: short stacking energy: -32.554 Base-Backbone interact. energy: -0.117 local terms energy: -48.325930 where: bonds (distance) C4'-P energy: -11.217 bonds (distance) P-C4' energy: -10.221 flat angles C4'-P-C4' energy: -12.515 flat angles P-C4'-P energy: -5.644 tors. eta vs tors. theta energy: -8.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -110.173055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.173055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.173055 (E_RNA) where: Base-Base interactions energy: -64.107 where: short stacking energy: -41.316 Base-Backbone interact. energy: -1.289 local terms energy: -44.777743 where: bonds (distance) C4'-P energy: -9.569 bonds (distance) P-C4' energy: -8.166 flat angles C4'-P-C4' energy: -9.467 flat angles P-C4'-P energy: -6.413 tors. eta vs tors. theta energy: -11.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -144.114003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.114003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.114003 (E_RNA) where: Base-Base interactions energy: -89.766 where: short stacking energy: -55.516 Base-Backbone interact. energy: -0.018 local terms energy: -54.329934 where: bonds (distance) C4'-P energy: -10.199 bonds (distance) P-C4' energy: -13.334 flat angles C4'-P-C4' energy: -10.536 flat angles P-C4'-P energy: -9.451 tors. eta vs tors. theta energy: -10.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -157.944179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.944179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.944179 (E_RNA) where: Base-Base interactions energy: -93.962 where: short stacking energy: -49.653 Base-Backbone interact. energy: -0.003 local terms energy: -63.979915 where: bonds (distance) C4'-P energy: -14.127 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -11.206 flat angles P-C4'-P energy: -9.149 tors. eta vs tors. theta energy: -14.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -153.441168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.441168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.441168 (E_RNA) where: Base-Base interactions energy: -91.860 where: short stacking energy: -59.442 Base-Backbone interact. energy: -0.201 local terms energy: -61.379890 where: bonds (distance) C4'-P energy: -10.874 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -11.328 flat angles P-C4'-P energy: -9.853 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: 4, replica: 10 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -145.150450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.150450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.150450 (E_RNA) where: Base-Base interactions energy: -86.581 where: short stacking energy: -53.318 Base-Backbone interact. energy: -0.051 local terms energy: -58.518963 where: bonds (distance) C4'-P energy: -15.626 bonds (distance) P-C4' energy: -14.465 flat angles C4'-P-C4' energy: -15.088 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -8.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -131.376846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.376846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.376846 (E_RNA) where: Base-Base interactions energy: -80.360 where: short stacking energy: -52.813 Base-Backbone interact. energy: -0.006 local terms energy: -51.011427 where: bonds (distance) C4'-P energy: -10.870 bonds (distance) P-C4' energy: -11.401 flat angles C4'-P-C4' energy: -15.414 flat angles P-C4'-P energy: -1.344 tors. eta vs tors. theta energy: -11.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -85.429706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.429706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.429706 (E_RNA) where: Base-Base interactions energy: -45.300 where: short stacking energy: -31.080 Base-Backbone interact. energy: -0.018 local terms energy: -40.111246 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -14.256 flat angles C4'-P-C4' energy: -9.729 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -2.332 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: 7 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -93.865371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.865371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.865371 (E_RNA) where: Base-Base interactions energy: -40.479 where: short stacking energy: -34.736 Base-Backbone interact. energy: -0.116 local terms energy: -53.270764 where: bonds (distance) C4'-P energy: -11.172 bonds (distance) P-C4' energy: -12.293 flat angles C4'-P-C4' energy: -13.169 flat angles P-C4'-P energy: -8.808 tors. eta vs tors. theta energy: -7.828 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: 51 Temperature: 1.250000 Total energy: -87.973693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.973693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.973693 (E_RNA) where: Base-Base interactions energy: -40.156 where: short stacking energy: -39.967 Base-Backbone interact. energy: -0.007 local terms energy: -47.811004 where: bonds (distance) C4'-P energy: -12.410 bonds (distance) P-C4' energy: -13.290 flat angles C4'-P-C4' energy: -12.455 flat angles P-C4'-P energy: -6.242 tors. eta vs tors. theta energy: -3.415 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: 6 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -84.475063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.475063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.475063 (E_RNA) where: Base-Base interactions energy: -44.551 where: short stacking energy: -32.312 Base-Backbone interact. energy: -0.176 local terms energy: -39.747880 where: bonds (distance) C4'-P energy: -14.408 bonds (distance) P-C4' energy: -8.621 flat angles C4'-P-C4' energy: -10.605 flat angles P-C4'-P energy: -3.925 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: 9 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -113.484175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.484175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.484175 (E_RNA) where: Base-Base interactions energy: -74.555 where: short stacking energy: -44.658 Base-Backbone interact. energy: -0.006 local terms energy: -38.922803 where: bonds (distance) C4'-P energy: -8.703 bonds (distance) P-C4' energy: -10.412 flat angles C4'-P-C4' energy: -10.013 flat angles P-C4'-P energy: -2.241 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: 1, replica: 4 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -155.830706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.830706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.830706 (E_RNA) where: Base-Base interactions energy: -96.131 where: short stacking energy: -66.093 Base-Backbone interact. energy: 0.732 local terms energy: -60.431201 where: bonds (distance) C4'-P energy: -10.592 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -12.774 flat angles P-C4'-P energy: -10.178 tors. eta vs tors. theta energy: -11.132 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: 3 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -159.498331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.498331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.498331 (E_RNA) where: Base-Base interactions energy: -103.487 where: short stacking energy: -58.668 Base-Backbone interact. energy: -0.001 local terms energy: -56.010993 where: bonds (distance) C4'-P energy: -11.441 bonds (distance) P-C4' energy: -9.664 flat angles C4'-P-C4' energy: -12.579 flat angles P-C4'-P energy: -6.350 tors. eta vs tors. theta energy: -15.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -139.292326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.292326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.292326 (E_RNA) where: Base-Base interactions energy: -85.263 where: short stacking energy: -46.763 Base-Backbone interact. energy: -0.947 local terms energy: -53.082517 where: bonds (distance) C4'-P energy: -12.764 bonds (distance) P-C4' energy: -12.093 flat angles C4'-P-C4' energy: -9.688 flat angles P-C4'-P energy: -9.307 tors. eta vs tors. theta energy: -9.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -134.534268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.534268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.534268 (E_RNA) where: Base-Base interactions energy: -78.825 where: short stacking energy: -49.794 Base-Backbone interact. energy: -0.058 local terms energy: -55.651002 where: bonds (distance) C4'-P energy: -14.058 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -12.615 flat angles P-C4'-P energy: -6.514 tors. eta vs tors. theta energy: -9.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -151.870718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.870718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.870718 (E_RNA) where: Base-Base interactions energy: -85.999 where: short stacking energy: -57.274 Base-Backbone interact. energy: -0.003 local terms energy: -65.869363 where: bonds (distance) C4'-P energy: -13.552 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -14.066 flat angles P-C4'-P energy: -10.374 tors. eta vs tors. theta energy: -13.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -97.915586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.915586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.915586 (E_RNA) where: Base-Base interactions energy: -51.360 where: short stacking energy: -34.182 Base-Backbone interact. energy: -0.194 local terms energy: -46.362110 where: bonds (distance) C4'-P energy: -10.170 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -12.789 flat angles P-C4'-P energy: -9.255 tors. eta vs tors. theta energy: -0.848 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: 8 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -86.711466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.711466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.711466 (E_RNA) where: Base-Base interactions energy: -40.356 where: short stacking energy: -40.356 Base-Backbone interact. energy: -0.102 local terms energy: -46.253762 where: bonds (distance) C4'-P energy: -12.620 bonds (distance) P-C4' energy: -10.815 flat angles C4'-P-C4' energy: -11.939 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: -6.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -79.383720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.383720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.383720 (E_RNA) where: Base-Base interactions energy: -33.602 where: short stacking energy: -31.991 Base-Backbone interact. energy: -0.594 local terms energy: -45.187318 where: bonds (distance) C4'-P energy: -13.648 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -8.145 flat angles P-C4'-P energy: -7.358 tors. eta vs tors. theta energy: -2.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -109.684035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.684035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.684035 (E_RNA) where: Base-Base interactions energy: -63.078 where: short stacking energy: -35.713 Base-Backbone interact. energy: -0.185 local terms energy: -46.421394 where: bonds (distance) C4'-P energy: -11.921 bonds (distance) P-C4' energy: -8.595 flat angles C4'-P-C4' energy: -11.568 flat angles P-C4'-P energy: -10.040 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: 10, replica: 6 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -79.219619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.219619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.219619 (E_RNA) where: Base-Base interactions energy: -43.813 where: short stacking energy: -29.177 Base-Backbone interact. energy: -1.217 local terms energy: -34.190036 where: bonds (distance) C4'-P energy: -6.633 bonds (distance) P-C4' energy: -10.063 flat angles C4'-P-C4' energy: -12.656 flat angles P-C4'-P energy: -2.885 tors. eta vs tors. theta energy: -1.953 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: 4 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -151.002840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.002840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.002840 (E_RNA) where: Base-Base interactions energy: -89.537 where: short stacking energy: -60.318 Base-Backbone interact. energy: -0.798 local terms energy: -60.668228 where: bonds (distance) C4'-P energy: -14.549 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -10.029 flat angles P-C4'-P energy: -9.850 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: 2, replica: 3 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -165.396763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.396763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.396763 (E_RNA) where: Base-Base interactions energy: -103.947 where: short stacking energy: -60.377 Base-Backbone interact. energy: -0.003 local terms energy: -61.446044 where: bonds (distance) C4'-P energy: -11.387 bonds (distance) P-C4' energy: -14.787 flat angles C4'-P-C4' energy: -10.720 flat angles P-C4'-P energy: -10.744 tors. eta vs tors. theta energy: -13.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -127.360203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.360203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.360203 (E_RNA) where: Base-Base interactions energy: -82.956 where: short stacking energy: -36.486 Base-Backbone interact. energy: -0.149 local terms energy: -44.255291 where: bonds (distance) C4'-P energy: -7.863 bonds (distance) P-C4' energy: -12.495 flat angles C4'-P-C4' energy: -8.249 flat angles P-C4'-P energy: -11.076 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: 4, replica: 1 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -135.690694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.690694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.690694 (E_RNA) where: Base-Base interactions energy: -77.453 where: short stacking energy: -50.885 Base-Backbone interact. energy: -0.003 local terms energy: -58.234360 where: bonds (distance) C4'-P energy: -13.436 bonds (distance) P-C4' energy: -11.907 flat angles C4'-P-C4' energy: -12.471 flat angles P-C4'-P energy: -9.803 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: 5, replica: 5 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -138.542091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.542091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.542091 (E_RNA) where: Base-Base interactions energy: -81.899 where: short stacking energy: -53.186 Base-Backbone interact. energy: -0.442 local terms energy: -56.200317 where: bonds (distance) C4'-P energy: -10.209 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -13.164 flat angles P-C4'-P energy: -8.638 tors. eta vs tors. theta energy: -10.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -91.465657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.465657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.465657 (E_RNA) where: Base-Base interactions energy: -45.494 where: short stacking energy: -33.259 Base-Backbone interact. energy: 2.988 local terms energy: -48.959343 where: bonds (distance) C4'-P energy: -11.543 bonds (distance) P-C4' energy: -11.405 flat angles C4'-P-C4' energy: -11.318 flat angles P-C4'-P energy: -9.907 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: 2 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -88.630866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.630866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.630866 (E_RNA) where: Base-Base interactions energy: -43.166 where: short stacking energy: -28.803 Base-Backbone interact. energy: -0.746 local terms energy: -44.718806 where: bonds (distance) C4'-P energy: -11.731 bonds (distance) P-C4' energy: -10.925 flat angles C4'-P-C4' energy: -12.821 flat angles P-C4'-P energy: -3.134 tors. eta vs tors. theta energy: -6.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -114.456766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.456766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.456766 (E_RNA) where: Base-Base interactions energy: -74.404 where: short stacking energy: -39.434 Base-Backbone interact. energy: 0.329 local terms energy: -40.382064 where: bonds (distance) C4'-P energy: -9.681 bonds (distance) P-C4' energy: -10.129 flat angles C4'-P-C4' energy: -8.950 flat angles P-C4'-P energy: -8.016 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: 9, replica: 7 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -79.158950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.158950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.158950 (E_RNA) where: Base-Base interactions energy: -41.256 where: short stacking energy: -29.306 Base-Backbone interact. energy: -0.069 local terms energy: -37.833716 where: bonds (distance) C4'-P energy: -10.447 bonds (distance) P-C4' energy: -10.522 flat angles C4'-P-C4' energy: -12.901 flat angles P-C4'-P energy: -5.359 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: 10, replica: 6 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -84.999036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.999036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.999036 (E_RNA) where: Base-Base interactions energy: -34.675 where: short stacking energy: -30.722 Base-Backbone interact. energy: -1.375 local terms energy: -48.949631 where: bonds (distance) C4'-P energy: -9.695 bonds (distance) P-C4' energy: -11.594 flat angles C4'-P-C4' energy: -12.586 flat angles P-C4'-P energy: -8.727 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: 1, replica: 4 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -144.246878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.246878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.246878 (E_RNA) where: Base-Base interactions energy: -84.673 where: short stacking energy: -51.484 Base-Backbone interact. energy: -0.001 local terms energy: -59.572785 where: bonds (distance) C4'-P energy: -15.427 bonds (distance) P-C4' energy: -12.162 flat angles C4'-P-C4' energy: -13.374 flat angles P-C4'-P energy: -7.061 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: 2, replica: 3 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -161.355443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.355443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.355443 (E_RNA) where: Base-Base interactions energy: -94.712 where: short stacking energy: -67.348 Base-Backbone interact. energy: -0.006 local terms energy: -66.637520 where: bonds (distance) C4'-P energy: -11.921 bonds (distance) P-C4' energy: -14.179 flat angles C4'-P-C4' energy: -15.555 flat angles P-C4'-P energy: -7.400 tors. eta vs tors. theta energy: -17.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -158.483181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.483181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.483181 (E_RNA) where: Base-Base interactions energy: -92.071 where: short stacking energy: -59.625 Base-Backbone interact. energy: -0.002 local terms energy: -66.410359 where: bonds (distance) C4'-P energy: -14.868 bonds (distance) P-C4' energy: -12.158 flat angles C4'-P-C4' energy: -15.586 flat angles P-C4'-P energy: -10.136 tors. eta vs tors. theta energy: -13.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -150.346708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.346708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.346708 (E_RNA) where: Base-Base interactions energy: -90.903 where: short stacking energy: -53.513 Base-Backbone interact. energy: -0.726 local terms energy: -58.717560 where: bonds (distance) C4'-P energy: -8.456 bonds (distance) P-C4' energy: -15.252 flat angles C4'-P-C4' energy: -15.423 flat angles P-C4'-P energy: -6.091 tors. eta vs tors. theta energy: -13.496 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: 54 Temperature: 1.100000 Total energy: -128.823223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.823223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.823223 (E_RNA) where: Base-Base interactions energy: -74.388 where: short stacking energy: -47.666 Base-Backbone interact. energy: -0.111 local terms energy: -54.323782 where: bonds (distance) C4'-P energy: -12.895 bonds (distance) P-C4' energy: -10.615 flat angles C4'-P-C4' energy: -14.330 flat angles P-C4'-P energy: -6.343 tors. eta vs tors. theta energy: -10.141 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: 8 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -95.927601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.927601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.927601 (E_RNA) where: Base-Base interactions energy: -45.745 where: short stacking energy: -41.414 Base-Backbone interact. energy: -0.399 local terms energy: -49.784050 where: bonds (distance) C4'-P energy: -11.875 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -8.535 flat angles P-C4'-P energy: -9.287 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: 7, replica: 9 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -118.436442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.436442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.436442 (E_RNA) where: Base-Base interactions energy: -66.783 where: short stacking energy: -38.957 Base-Backbone interact. energy: -0.509 local terms energy: -51.144282 where: bonds (distance) C4'-P energy: -12.756 bonds (distance) P-C4' energy: -12.599 flat angles C4'-P-C4' energy: -11.023 flat angles P-C4'-P energy: -9.156 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: 8, replica: 2 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -80.634923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.634923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.634923 (E_RNA) where: Base-Base interactions energy: -30.264 where: short stacking energy: -30.264 Base-Backbone interact. energy: -0.031 local terms energy: -50.339137 where: bonds (distance) C4'-P energy: -12.774 bonds (distance) P-C4' energy: -12.616 flat angles C4'-P-C4' energy: -12.901 flat angles P-C4'-P energy: -4.700 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: 9, replica: 6 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -81.422000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.422000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.422000 (E_RNA) where: Base-Base interactions energy: -37.909 where: short stacking energy: -23.498 Base-Backbone interact. energy: -0.063 local terms energy: -43.450245 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -12.575 flat angles C4'-P-C4' energy: -8.896 flat angles P-C4'-P energy: -8.613 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: 10, replica: 7 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -75.390769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.390769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.390769 (E_RNA) where: Base-Base interactions energy: -22.837 where: short stacking energy: -16.943 Base-Backbone interact. energy: 1.292 local terms energy: -53.845354 where: bonds (distance) C4'-P energy: -13.373 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -8.755 tors. eta vs tors. theta energy: -5.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -141.317226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.317226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.317226 (E_RNA) where: Base-Base interactions energy: -86.611 where: short stacking energy: -58.907 Base-Backbone interact. energy: -0.774 local terms energy: -53.932162 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -9.836 flat angles C4'-P-C4' energy: -11.444 flat angles P-C4'-P energy: -10.424 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: 2, replica: 3 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -165.126124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.126124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.126124 (E_RNA) where: Base-Base interactions energy: -93.952 where: short stacking energy: -61.457 Base-Backbone interact. energy: -0.100 local terms energy: -71.073976 where: bonds (distance) C4'-P energy: -12.630 bonds (distance) P-C4' energy: -15.554 flat angles C4'-P-C4' energy: -16.194 flat angles P-C4'-P energy: -8.429 tors. eta vs tors. theta energy: -18.267 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: 10 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -150.321691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.321691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.321691 (E_RNA) where: Base-Base interactions energy: -88.522 where: short stacking energy: -54.043 Base-Backbone interact. energy: -0.022 local terms energy: -61.777569 where: bonds (distance) C4'-P energy: -13.581 bonds (distance) P-C4' energy: -10.392 flat angles C4'-P-C4' energy: -14.367 flat angles P-C4'-P energy: -10.408 tors. eta vs tors. theta energy: -13.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -158.645241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.645241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.645241 (E_RNA) where: Base-Base interactions energy: -90.900 where: short stacking energy: -63.126 Base-Backbone interact. energy: -1.029 local terms energy: -66.715583 where: bonds (distance) C4'-P energy: -14.439 bonds (distance) P-C4' energy: -11.987 flat angles C4'-P-C4' energy: -13.986 flat angles P-C4'-P energy: -9.137 tors. eta vs tors. theta energy: -17.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -141.087036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.087036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.087036 (E_RNA) where: Base-Base interactions energy: -83.275 where: short stacking energy: -51.539 Base-Backbone interact. energy: -0.126 local terms energy: -57.685433 where: bonds (distance) C4'-P energy: -14.587 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -12.348 flat angles P-C4'-P energy: -6.737 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: 9 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -125.736021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.736021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.736021 (E_RNA) where: Base-Base interactions energy: -78.660 where: short stacking energy: -45.563 Base-Backbone interact. energy: -0.374 local terms energy: -46.701745 where: bonds (distance) C4'-P energy: -10.000 bonds (distance) P-C4' energy: -11.476 flat angles C4'-P-C4' energy: -11.046 flat angles P-C4'-P energy: -7.464 tors. eta vs tors. theta energy: -6.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -87.493151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.493151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.493151 (E_RNA) where: Base-Base interactions energy: -47.680 where: short stacking energy: -47.680 Base-Backbone interact. energy: -0.021 local terms energy: -39.792468 where: bonds (distance) C4'-P energy: -4.544 bonds (distance) P-C4' energy: -13.694 flat angles C4'-P-C4' energy: -7.555 flat angles P-C4'-P energy: -5.351 tors. eta vs tors. theta energy: -8.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -76.175436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.175436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.175436 (E_RNA) where: Base-Base interactions energy: -26.194 where: short stacking energy: -22.594 Base-Backbone interact. energy: 0.064 local terms energy: -50.045893 where: bonds (distance) C4'-P energy: -12.534 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -12.476 flat angles P-C4'-P energy: -10.942 tors. eta vs tors. theta energy: -0.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -79.942905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.942905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.942905 (E_RNA) where: Base-Base interactions energy: -39.883 where: short stacking energy: -36.105 Base-Backbone interact. energy: 1.220 local terms energy: -41.280226 where: bonds (distance) C4'-P energy: -13.597 bonds (distance) P-C4' energy: -12.179 flat angles C4'-P-C4' energy: -8.347 flat angles P-C4'-P energy: -5.028 tors. eta vs tors. theta energy: -2.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -93.432454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.432454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.432454 (E_RNA) where: Base-Base interactions energy: -39.147 where: short stacking energy: -39.147 Base-Backbone interact. energy: -0.002 local terms energy: -54.283379 where: bonds (distance) C4'-P energy: -13.146 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -12.088 flat angles P-C4'-P energy: -6.562 tors. eta vs tors. theta energy: -9.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -158.974484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.974484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.974484 (E_RNA) where: Base-Base interactions energy: -99.831 where: short stacking energy: -58.293 Base-Backbone interact. energy: 3.326 local terms energy: -62.469464 where: bonds (distance) C4'-P energy: -11.850 bonds (distance) P-C4' energy: -12.567 flat angles C4'-P-C4' energy: -11.640 flat angles P-C4'-P energy: -11.511 tors. eta vs tors. theta energy: -14.901 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: 4 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -150.400781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.400781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.400781 (E_RNA) where: Base-Base interactions energy: -87.632 where: short stacking energy: -54.526 Base-Backbone interact. energy: -0.566 local terms energy: -62.202743 where: bonds (distance) C4'-P energy: -12.540 bonds (distance) P-C4' energy: -11.660 flat angles C4'-P-C4' energy: -13.388 flat angles P-C4'-P energy: -10.602 tors. eta vs tors. theta energy: -14.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -150.602648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.602648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.602648 (E_RNA) where: Base-Base interactions energy: -89.121 where: short stacking energy: -51.827 Base-Backbone interact. energy: -0.003 local terms energy: -61.479106 where: bonds (distance) C4'-P energy: -13.035 bonds (distance) P-C4' energy: -14.375 flat angles C4'-P-C4' energy: -14.237 flat angles P-C4'-P energy: -9.846 tors. eta vs tors. theta energy: -9.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -124.088623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.088623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.088623 (E_RNA) where: Base-Base interactions energy: -69.805 where: short stacking energy: -43.532 Base-Backbone interact. energy: -0.061 local terms energy: -54.222102 where: bonds (distance) C4'-P energy: -12.841 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -11.660 flat angles P-C4'-P energy: -9.535 tors. eta vs tors. theta energy: -6.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -140.005629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.005629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.005629 (E_RNA) where: Base-Base interactions energy: -88.008 where: short stacking energy: -47.580 Base-Backbone interact. energy: -0.081 local terms energy: -51.915772 where: bonds (distance) C4'-P energy: -11.399 bonds (distance) P-C4' energy: -10.740 flat angles C4'-P-C4' energy: -12.276 flat angles P-C4'-P energy: -6.783 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: 5 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -120.358677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.358677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.358677 (E_RNA) where: Base-Base interactions energy: -67.947 where: short stacking energy: -40.673 Base-Backbone interact. energy: -0.003 local terms energy: -52.408713 where: bonds (distance) C4'-P energy: -12.210 bonds (distance) P-C4' energy: -11.890 flat angles C4'-P-C4' energy: -13.982 flat angles P-C4'-P energy: -8.862 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: 7, replica: 6 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -94.443432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.443432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.443432 (E_RNA) where: Base-Base interactions energy: -47.835 where: short stacking energy: -44.360 Base-Backbone interact. energy: -0.205 local terms energy: -46.403540 where: bonds (distance) C4'-P energy: -9.618 bonds (distance) P-C4' energy: -14.480 flat angles C4'-P-C4' energy: -13.302 flat angles P-C4'-P energy: -1.855 tors. eta vs tors. theta energy: -7.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -82.622166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.622166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.622166 (E_RNA) where: Base-Base interactions energy: -31.906 where: short stacking energy: -30.116 Base-Backbone interact. energy: -0.019 local terms energy: -50.697059 where: bonds (distance) C4'-P energy: -13.278 bonds (distance) P-C4' energy: -11.667 flat angles C4'-P-C4' energy: -12.391 flat angles P-C4'-P energy: -5.436 tors. eta vs tors. theta energy: -7.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -84.588615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.588615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.588615 (E_RNA) where: Base-Base interactions energy: -31.360 where: short stacking energy: -30.561 Base-Backbone interact. energy: -0.007 local terms energy: -53.221259 where: bonds (distance) C4'-P energy: -11.718 bonds (distance) P-C4' energy: -12.831 flat angles C4'-P-C4' energy: -12.817 flat angles P-C4'-P energy: -6.688 tors. eta vs tors. theta energy: -9.167 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: 10, replica: 2 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -73.824853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.824853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.824853 (E_RNA) where: Base-Base interactions energy: -29.766 where: short stacking energy: -29.591 Base-Backbone interact. energy: 0.778 local terms energy: -44.836752 where: bonds (distance) C4'-P energy: -12.819 bonds (distance) P-C4' energy: -11.091 flat angles C4'-P-C4' energy: -12.943 flat angles P-C4'-P energy: -5.593 tors. eta vs tors. theta energy: -2.391 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: 3 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -160.741509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.741509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.741509 (E_RNA) where: Base-Base interactions energy: -95.361 where: short stacking energy: -62.719 Base-Backbone interact. energy: -0.047 local terms energy: -65.333028 where: bonds (distance) C4'-P energy: -14.644 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -12.200 flat angles P-C4'-P energy: -7.112 tors. eta vs tors. theta energy: -18.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -154.672430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.672430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.672430 (E_RNA) where: Base-Base interactions energy: -94.642 where: short stacking energy: -61.264 Base-Backbone interact. energy: -0.575 local terms energy: -59.454853 where: bonds (distance) C4'-P energy: -10.430 bonds (distance) P-C4' energy: -13.211 flat angles C4'-P-C4' energy: -14.042 flat angles P-C4'-P energy: -8.692 tors. eta vs tors. theta energy: -13.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -149.356158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.356158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.356158 (E_RNA) where: Base-Base interactions energy: -89.004 where: short stacking energy: -55.741 Base-Backbone interact. energy: -0.002 local terms energy: -60.350371 where: bonds (distance) C4'-P energy: -13.341 bonds (distance) P-C4' energy: -13.398 flat angles C4'-P-C4' energy: -12.821 flat angles P-C4'-P energy: -7.630 tors. eta vs tors. theta energy: -13.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -139.987933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.987933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.987933 (E_RNA) where: Base-Base interactions energy: -82.968 where: short stacking energy: -52.043 Base-Backbone interact. energy: -0.033 local terms energy: -56.986727 where: bonds (distance) C4'-P energy: -12.331 bonds (distance) P-C4' energy: -11.308 flat angles C4'-P-C4' energy: -12.014 flat angles P-C4'-P energy: -9.121 tors. eta vs tors. theta energy: -12.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -127.248934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.248934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.248934 (E_RNA) where: Base-Base interactions energy: -73.891 where: short stacking energy: -41.368 Base-Backbone interact. energy: -0.017 local terms energy: -53.341373 where: bonds (distance) C4'-P energy: -10.890 bonds (distance) P-C4' energy: -14.614 flat angles C4'-P-C4' energy: -7.413 flat angles P-C4'-P energy: -11.373 tors. eta vs tors. theta energy: -9.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -94.091922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.091922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.091922 (E_RNA) where: Base-Base interactions energy: -46.094 where: short stacking energy: -42.096 Base-Backbone interact. energy: -0.114 local terms energy: -47.883951 where: bonds (distance) C4'-P energy: -9.996 bonds (distance) P-C4' energy: -14.946 flat angles C4'-P-C4' energy: -12.523 flat angles P-C4'-P energy: -5.733 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: 7, replica: 5 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -105.525022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.525022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.525022 (E_RNA) where: Base-Base interactions energy: -58.203 where: short stacking energy: -29.782 Base-Backbone interact. energy: -0.054 local terms energy: -47.268423 where: bonds (distance) C4'-P energy: -12.335 bonds (distance) P-C4' energy: -15.445 flat angles C4'-P-C4' energy: -11.255 flat angles P-C4'-P energy: -7.553 tors. eta vs tors. theta energy: -0.680 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: 7 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -80.450819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.450819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.450819 (E_RNA) where: Base-Base interactions energy: -32.777 where: short stacking energy: -31.530 Base-Backbone interact. energy: -0.128 local terms energy: -47.546179 where: bonds (distance) C4'-P energy: -11.386 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -15.124 flat angles P-C4'-P energy: -2.381 tors. eta vs tors. theta energy: -4.915 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: 8 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -86.824531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.824531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.824531 (E_RNA) where: Base-Base interactions energy: -35.927 where: short stacking energy: -34.850 Base-Backbone interact. energy: -0.006 local terms energy: -50.891688 where: bonds (distance) C4'-P energy: -7.911 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -9.194 flat angles P-C4'-P energy: -9.659 tors. eta vs tors. theta energy: -8.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -82.909784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.909784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.909784 (E_RNA) where: Base-Base interactions energy: -42.492 where: short stacking energy: -25.057 Base-Backbone interact. energy: 1.346 local terms energy: -41.763922 where: bonds (distance) C4'-P energy: -10.766 bonds (distance) P-C4' energy: -9.592 flat angles C4'-P-C4' energy: -9.732 flat angles P-C4'-P energy: -9.613 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: 1, replica: 3 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -153.132769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.132769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.132769 (E_RNA) where: Base-Base interactions energy: -92.209 where: short stacking energy: -58.372 Base-Backbone interact. energy: -0.001 local terms energy: -60.922997 where: bonds (distance) C4'-P energy: -13.030 bonds (distance) P-C4' energy: -14.117 flat angles C4'-P-C4' energy: -12.131 flat angles P-C4'-P energy: -9.655 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: 2, replica: 4 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -146.005238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.005238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.005238 (E_RNA) where: Base-Base interactions energy: -86.950 where: short stacking energy: -53.491 Base-Backbone interact. energy: -0.060 local terms energy: -58.995602 where: bonds (distance) C4'-P energy: -12.012 bonds (distance) P-C4' energy: -14.934 flat angles C4'-P-C4' energy: -13.057 flat angles P-C4'-P energy: -9.334 tors. eta vs tors. theta energy: -9.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -150.584263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.584263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.584263 (E_RNA) where: Base-Base interactions energy: -84.621 where: short stacking energy: -55.671 Base-Backbone interact. energy: -0.062 local terms energy: -65.901017 where: bonds (distance) C4'-P energy: -14.619 bonds (distance) P-C4' energy: -11.299 flat angles C4'-P-C4' energy: -15.454 flat angles P-C4'-P energy: -11.211 tors. eta vs tors. theta energy: -13.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -146.273433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.273433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.273433 (E_RNA) where: Base-Base interactions energy: -91.959 where: short stacking energy: -54.755 Base-Backbone interact. energy: -0.001 local terms energy: -54.313602 where: bonds (distance) C4'-P energy: -10.865 bonds (distance) P-C4' energy: -10.944 flat angles C4'-P-C4' energy: -10.582 flat angles P-C4'-P energy: -9.914 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: 5, replica: 1 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -132.419032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.419032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.419032 (E_RNA) where: Base-Base interactions energy: -76.413 where: short stacking energy: -49.269 Base-Backbone interact. energy: -0.087 local terms energy: -55.918475 where: bonds (distance) C4'-P energy: -11.342 bonds (distance) P-C4' energy: -11.136 flat angles C4'-P-C4' energy: -10.405 flat angles P-C4'-P energy: -9.694 tors. eta vs tors. theta energy: -13.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -94.377677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.377677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.377677 (E_RNA) where: Base-Base interactions energy: -50.658 where: short stacking energy: -37.201 Base-Backbone interact. energy: -0.069 local terms energy: -43.650726 where: bonds (distance) C4'-P energy: -10.754 bonds (distance) P-C4' energy: -14.425 flat angles C4'-P-C4' energy: -9.716 flat angles P-C4'-P energy: -4.070 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: 7, replica: 7 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -88.136268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.136268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.136268 (E_RNA) where: Base-Base interactions energy: -37.218 where: short stacking energy: -36.883 Base-Backbone interact. energy: -0.048 local terms energy: -50.870271 where: bonds (distance) C4'-P energy: -10.376 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -12.081 flat angles P-C4'-P energy: -8.335 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: 8, replica: 5 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -79.261270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.261270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.261270 (E_RNA) where: Base-Base interactions energy: -36.703 where: short stacking energy: -31.214 Base-Backbone interact. energy: -0.059 local terms energy: -42.499418 where: bonds (distance) C4'-P energy: -11.954 bonds (distance) P-C4' energy: -10.805 flat angles C4'-P-C4' energy: -10.606 flat angles P-C4'-P energy: -9.306 tors. eta vs tors. theta energy: 0.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -88.661028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.661028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.661028 (E_RNA) where: Base-Base interactions energy: -40.996 where: short stacking energy: -40.996 Base-Backbone interact. energy: -0.468 local terms energy: -47.197040 where: bonds (distance) C4'-P energy: -13.038 bonds (distance) P-C4' energy: -11.982 flat angles C4'-P-C4' energy: -11.041 flat angles P-C4'-P energy: -5.858 tors. eta vs tors. theta energy: -5.278 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: 8 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -71.439678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.439678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.439678 (E_RNA) where: Base-Base interactions energy: -26.297 where: short stacking energy: -21.591 Base-Backbone interact. energy: -0.142 local terms energy: -45.001080 where: bonds (distance) C4'-P energy: -12.256 bonds (distance) P-C4' energy: -13.426 flat angles C4'-P-C4' energy: -10.148 flat angles P-C4'-P energy: -8.505 tors. eta vs tors. theta energy: -0.667 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: 3 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -167.751164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.751164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.751164 (E_RNA) where: Base-Base interactions energy: -104.340 where: short stacking energy: -72.851 Base-Backbone interact. energy: -0.006 local terms energy: -63.404834 where: bonds (distance) C4'-P energy: -14.069 bonds (distance) P-C4' energy: -11.510 flat angles C4'-P-C4' energy: -12.261 flat angles P-C4'-P energy: -10.096 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: 2, replica: 10 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -160.550339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.550339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.550339 (E_RNA) where: Base-Base interactions energy: -103.756 where: short stacking energy: -58.117 Base-Backbone interact. energy: -0.202 local terms energy: -56.592438 where: bonds (distance) C4'-P energy: -10.837 bonds (distance) P-C4' energy: -13.572 flat angles C4'-P-C4' energy: -9.092 flat angles P-C4'-P energy: -9.926 tors. eta vs tors. theta energy: -13.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -138.306598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.306598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.306598 (E_RNA) where: Base-Base interactions energy: -84.232 where: short stacking energy: -53.805 Base-Backbone interact. energy: -0.123 local terms energy: -53.952302 where: bonds (distance) C4'-P energy: -13.497 bonds (distance) P-C4' energy: -12.796 flat angles C4'-P-C4' energy: -11.424 flat angles P-C4'-P energy: -5.930 tors. eta vs tors. theta energy: -10.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -132.405554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.405554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.405554 (E_RNA) where: Base-Base interactions energy: -78.641 where: short stacking energy: -50.386 Base-Backbone interact. energy: 3.780 local terms energy: -57.544636 where: bonds (distance) C4'-P energy: -11.407 bonds (distance) P-C4' energy: -12.726 flat angles C4'-P-C4' energy: -13.359 flat angles P-C4'-P energy: -9.016 tors. eta vs tors. theta energy: -11.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -131.910973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.910973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.910973 (E_RNA) where: Base-Base interactions energy: -80.126 where: short stacking energy: -48.647 Base-Backbone interact. energy: 1.369 local terms energy: -53.154714 where: bonds (distance) C4'-P energy: -12.077 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -10.006 flat angles P-C4'-P energy: -10.064 tors. eta vs tors. theta energy: -6.193 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: 6 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -98.772132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.772132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.772132 (E_RNA) where: Base-Base interactions energy: -45.200 where: short stacking energy: -38.876 Base-Backbone interact. energy: -0.083 local terms energy: -53.489083 where: bonds (distance) C4'-P energy: -11.237 bonds (distance) P-C4' energy: -11.765 flat angles C4'-P-C4' energy: -11.573 flat angles P-C4'-P energy: -8.189 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: 7, replica: 7 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -114.492529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.492529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.492529 (E_RNA) where: Base-Base interactions energy: -60.087 where: short stacking energy: -45.781 Base-Backbone interact. energy: -0.078 local terms energy: -54.326637 where: bonds (distance) C4'-P energy: -10.042 bonds (distance) P-C4' energy: -11.918 flat angles C4'-P-C4' energy: -12.047 flat angles P-C4'-P energy: -9.658 tors. eta vs tors. theta energy: -10.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -81.692835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.692835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.692835 (E_RNA) where: Base-Base interactions energy: -35.706 where: short stacking energy: -29.715 Base-Backbone interact. energy: -0.074 local terms energy: -45.912560 where: bonds (distance) C4'-P energy: -10.823 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -8.997 flat angles P-C4'-P energy: -8.625 tors. eta vs tors. theta energy: -3.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -81.146437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.146437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.146437 (E_RNA) where: Base-Base interactions energy: -39.448 where: short stacking energy: -32.618 Base-Backbone interact. energy: -1.093 local terms energy: -40.604940 where: bonds (distance) C4'-P energy: -7.835 bonds (distance) P-C4' energy: -10.573 flat angles C4'-P-C4' energy: -10.259 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: -7.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -77.043862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.043862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.043862 (E_RNA) where: Base-Base interactions energy: -33.738 where: short stacking energy: -32.561 Base-Backbone interact. energy: -0.192 local terms energy: -43.113722 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -10.399 flat angles P-C4'-P energy: -6.982 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: 1, replica: 3 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -167.002356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.002356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.002356 (E_RNA) where: Base-Base interactions energy: -103.173 where: short stacking energy: -63.403 Base-Backbone interact. energy: -0.001 local terms energy: -63.828833 where: bonds (distance) C4'-P energy: -10.764 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -11.133 flat angles P-C4'-P energy: -11.025 tors. eta vs tors. theta energy: -17.375 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: 10 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -156.870972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.870972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.870972 (E_RNA) where: Base-Base interactions energy: -95.525 where: short stacking energy: -55.665 Base-Backbone interact. energy: -0.006 local terms energy: -61.340529 where: bonds (distance) C4'-P energy: -11.474 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -13.160 flat angles P-C4'-P energy: -9.010 tors. eta vs tors. theta energy: -13.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -137.582709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.582709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.582709 (E_RNA) where: Base-Base interactions energy: -82.207 where: short stacking energy: -46.195 Base-Backbone interact. energy: -1.212 local terms energy: -54.163869 where: bonds (distance) C4'-P energy: -12.960 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -13.559 flat angles P-C4'-P energy: -7.398 tors. eta vs tors. theta energy: -6.663 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: 60 Temperature: 1.050000 Total energy: -126.927385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.927385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.927385 (E_RNA) where: Base-Base interactions energy: -75.083 where: short stacking energy: -50.045 Base-Backbone interact. energy: -0.095 local terms energy: -51.749887 where: bonds (distance) C4'-P energy: -14.670 bonds (distance) P-C4' energy: -10.366 flat angles C4'-P-C4' energy: -10.579 flat angles P-C4'-P energy: -8.397 tors. eta vs tors. theta energy: -7.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -131.086123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.086123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.086123 (E_RNA) where: Base-Base interactions energy: -75.875 where: short stacking energy: -50.986 Base-Backbone interact. energy: -0.788 local terms energy: -54.422963 where: bonds (distance) C4'-P energy: -13.146 bonds (distance) P-C4' energy: -11.412 flat angles C4'-P-C4' energy: -15.026 flat angles P-C4'-P energy: -8.245 tors. eta vs tors. theta energy: -6.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -102.944449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.944449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.944449 (E_RNA) where: Base-Base interactions energy: -47.851 where: short stacking energy: -39.231 Base-Backbone interact. energy: -1.476 local terms energy: -53.616597 where: bonds (distance) C4'-P energy: -13.278 bonds (distance) P-C4' energy: -11.885 flat angles C4'-P-C4' energy: -12.340 flat angles P-C4'-P energy: -4.308 tors. eta vs tors. theta energy: -11.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -76.608821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.608821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.608821 (E_RNA) where: Base-Base interactions energy: -31.191 where: short stacking energy: -31.191 Base-Backbone interact. energy: -0.107 local terms energy: -45.310588 where: bonds (distance) C4'-P energy: -11.788 bonds (distance) P-C4' energy: -10.811 flat angles C4'-P-C4' energy: -9.820 flat angles P-C4'-P energy: -9.521 tors. eta vs tors. theta energy: -3.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -78.746575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.746575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.746575 (E_RNA) where: Base-Base interactions energy: -37.546 where: short stacking energy: -28.688 Base-Backbone interact. energy: -0.283 local terms energy: -40.917398 where: bonds (distance) C4'-P energy: -9.060 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -12.573 flat angles P-C4'-P energy: -4.841 tors. eta vs tors. theta energy: 1.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -80.407336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.407336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.407336 (E_RNA) where: Base-Base interactions energy: -39.207 where: short stacking energy: -27.809 Base-Backbone interact. energy: -0.473 local terms energy: -40.727318 where: bonds (distance) C4'-P energy: -14.379 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -7.740 flat angles P-C4'-P energy: -7.822 tors. eta vs tors. theta energy: -2.186 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: 10, replica: 5 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -81.125186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.125186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.125186 (E_RNA) where: Base-Base interactions energy: -47.657 where: short stacking energy: -42.347 Base-Backbone interact. energy: -1.066 local terms energy: -32.402415 where: bonds (distance) C4'-P energy: -6.128 bonds (distance) P-C4' energy: -7.864 flat angles C4'-P-C4' energy: -9.877 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: -3.907 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: 3 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -165.630539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.630539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.630539 (E_RNA) where: Base-Base interactions energy: -97.693 where: short stacking energy: -64.408 Base-Backbone interact. energy: -0.007 local terms energy: -67.930380 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -14.119 flat angles P-C4'-P energy: -8.877 tors. eta vs tors. theta energy: -16.570 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: 1 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -147.698995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.698995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.698995 (E_RNA) where: Base-Base interactions energy: -89.003 where: short stacking energy: -51.045 Base-Backbone interact. energy: 1.118 local terms energy: -59.814219 where: bonds (distance) C4'-P energy: -12.743 bonds (distance) P-C4' energy: -13.854 flat angles C4'-P-C4' energy: -15.812 flat angles P-C4'-P energy: -5.965 tors. eta vs tors. theta energy: -11.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -152.524524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.524524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.524524 (E_RNA) where: Base-Base interactions energy: -91.870 where: short stacking energy: -57.036 Base-Backbone interact. energy: -0.699 local terms energy: -59.955545 where: bonds (distance) C4'-P energy: -13.410 bonds (distance) P-C4' energy: -14.017 flat angles C4'-P-C4' energy: -9.612 flat angles P-C4'-P energy: -8.328 tors. eta vs tors. theta energy: -14.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -132.129765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.129765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.129765 (E_RNA) where: Base-Base interactions energy: -73.470 where: short stacking energy: -52.824 Base-Backbone interact. energy: -0.022 local terms energy: -58.638424 where: bonds (distance) C4'-P energy: -14.744 bonds (distance) P-C4' energy: -14.854 flat angles C4'-P-C4' energy: -10.886 flat angles P-C4'-P energy: -7.486 tors. eta vs tors. theta energy: -10.669 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: 5, replica: 4 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -118.642154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.642154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.642154 (E_RNA) where: Base-Base interactions energy: -75.999 where: short stacking energy: -44.502 Base-Backbone interact. energy: -0.269 local terms energy: -42.374045 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -9.243 flat angles C4'-P-C4' energy: -13.118 flat angles P-C4'-P energy: -6.123 tors. eta vs tors. theta energy: -6.221 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: 2 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -95.823787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.823787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.823787 (E_RNA) where: Base-Base interactions energy: -47.487 where: short stacking energy: -37.776 Base-Backbone interact. energy: -0.075 local terms energy: -48.261605 where: bonds (distance) C4'-P energy: -8.845 bonds (distance) P-C4' energy: -14.699 flat angles C4'-P-C4' energy: -11.965 flat angles P-C4'-P energy: -6.096 tors. eta vs tors. theta energy: -6.657 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: 6 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -98.614401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.614401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.614401 (E_RNA) where: Base-Base interactions energy: -48.191 where: short stacking energy: -46.196 Base-Backbone interact. energy: -0.052 local terms energy: -50.372179 where: bonds (distance) C4'-P energy: -12.426 bonds (distance) P-C4' energy: -4.137 flat angles C4'-P-C4' energy: -11.351 flat angles P-C4'-P energy: -11.811 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: 8, replica: 8 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -117.542360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.542360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.542360 (E_RNA) where: Base-Base interactions energy: -72.985 where: short stacking energy: -42.467 Base-Backbone interact. energy: 2.028 local terms energy: -46.585698 where: bonds (distance) C4'-P energy: -11.792 bonds (distance) P-C4' energy: -14.572 flat angles C4'-P-C4' energy: -13.113 flat angles P-C4'-P energy: -3.159 tors. eta vs tors. theta energy: -3.950 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: 9, replica: 7 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -68.374470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.374470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.374470 (E_RNA) where: Base-Base interactions energy: -29.030 where: short stacking energy: -26.360 Base-Backbone interact. energy: -0.139 local terms energy: -39.205024 where: bonds (distance) C4'-P energy: -9.896 bonds (distance) P-C4' energy: -13.388 flat angles C4'-P-C4' energy: -7.180 flat angles P-C4'-P energy: -4.880 tors. eta vs tors. theta energy: -3.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -87.504139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.504139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.504139 (E_RNA) where: Base-Base interactions energy: -41.894 where: short stacking energy: -26.963 Base-Backbone interact. energy: 0.797 local terms energy: -46.407480 where: bonds (distance) C4'-P energy: -11.643 bonds (distance) P-C4' energy: -14.270 flat angles C4'-P-C4' energy: -10.294 flat angles P-C4'-P energy: -6.570 tors. eta vs tors. theta energy: -3.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -169.255119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.255119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.255119 (E_RNA) where: Base-Base interactions energy: -102.899 where: short stacking energy: -67.280 Base-Backbone interact. energy: 0.438 local terms energy: -66.794025 where: bonds (distance) C4'-P energy: -12.711 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -14.466 flat angles P-C4'-P energy: -6.866 tors. eta vs tors. theta energy: -17.235 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: 62 Temperature: 0.950000 Total energy: -158.400707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.400707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.400707 (E_RNA) where: Base-Base interactions energy: -95.827 where: short stacking energy: -50.816 Base-Backbone interact. energy: -0.229 local terms energy: -62.345249 where: bonds (distance) C4'-P energy: -10.956 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -13.962 flat angles P-C4'-P energy: -10.285 tors. eta vs tors. theta energy: -11.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -147.323724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.323724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.323724 (E_RNA) where: Base-Base interactions energy: -86.367 where: short stacking energy: -54.704 Base-Backbone interact. energy: -0.207 local terms energy: -60.750270 where: bonds (distance) C4'-P energy: -15.241 bonds (distance) P-C4' energy: -12.667 flat angles C4'-P-C4' energy: -15.247 flat angles P-C4'-P energy: -8.076 tors. eta vs tors. theta energy: -9.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -142.832107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.832107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.832107 (E_RNA) where: Base-Base interactions energy: -84.137 where: short stacking energy: -50.968 Base-Backbone interact. energy: -0.130 local terms energy: -58.565469 where: bonds (distance) C4'-P energy: -11.839 bonds (distance) P-C4' energy: -12.997 flat angles C4'-P-C4' energy: -10.249 flat angles P-C4'-P energy: -10.519 tors. eta vs tors. theta energy: -12.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -122.474367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.474367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.474367 (E_RNA) where: Base-Base interactions energy: -73.913 where: short stacking energy: -50.456 Base-Backbone interact. energy: -0.072 local terms energy: -48.489361 where: bonds (distance) C4'-P energy: -10.650 bonds (distance) P-C4' energy: -13.582 flat angles C4'-P-C4' energy: -11.720 flat angles P-C4'-P energy: -3.997 tors. eta vs tors. theta energy: -8.541 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: 2 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -82.959462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.959462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.959462 (E_RNA) where: Base-Base interactions energy: -34.382 where: short stacking energy: -30.323 Base-Backbone interact. energy: -0.074 local terms energy: -48.503623 where: bonds (distance) C4'-P energy: -12.769 bonds (distance) P-C4' energy: -12.888 flat angles C4'-P-C4' energy: -13.252 flat angles P-C4'-P energy: -5.924 tors. eta vs tors. theta energy: -3.669 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: 8 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -136.935973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.935973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.935973 (E_RNA) where: Base-Base interactions energy: -85.035 where: short stacking energy: -45.665 Base-Backbone interact. energy: -0.306 local terms energy: -51.594663 where: bonds (distance) C4'-P energy: -8.071 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -11.343 flat angles P-C4'-P energy: -8.533 tors. eta vs tors. theta energy: -8.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -86.555471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.555471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.555471 (E_RNA) where: Base-Base interactions energy: -35.296 where: short stacking energy: -31.606 Base-Backbone interact. energy: -0.061 local terms energy: -51.197824 where: bonds (distance) C4'-P energy: -11.139 bonds (distance) P-C4' energy: -12.200 flat angles C4'-P-C4' energy: -13.131 flat angles P-C4'-P energy: -7.645 tors. eta vs tors. theta energy: -7.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -77.554228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.554228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.554228 (E_RNA) where: Base-Base interactions energy: -39.606 where: short stacking energy: -20.849 Base-Backbone interact. energy: -0.040 local terms energy: -37.908314 where: bonds (distance) C4'-P energy: -8.996 bonds (distance) P-C4' energy: -12.934 flat angles C4'-P-C4' energy: -7.623 flat angles P-C4'-P energy: -8.237 tors. eta vs tors. theta energy: -0.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -70.965018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.965018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.965018 (E_RNA) where: Base-Base interactions energy: -28.130 where: short stacking energy: -22.187 Base-Backbone interact. energy: -0.024 local terms energy: -42.811245 where: bonds (distance) C4'-P energy: -14.014 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -11.253 tors. eta vs tors. theta energy: -0.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -154.016409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.016409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.016409 (E_RNA) where: Base-Base interactions energy: -99.318 where: short stacking energy: -63.556 Base-Backbone interact. energy: -0.048 local terms energy: -54.649842 where: bonds (distance) C4'-P energy: -10.471 bonds (distance) P-C4' energy: -13.519 flat angles C4'-P-C4' energy: -8.952 flat angles P-C4'-P energy: -7.737 tors. eta vs tors. theta energy: -13.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -155.122800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.122800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.122800 (E_RNA) where: Base-Base interactions energy: -91.501 where: short stacking energy: -60.960 Base-Backbone interact. energy: -0.041 local terms energy: -63.581149 where: bonds (distance) C4'-P energy: -12.052 bonds (distance) P-C4' energy: -14.201 flat angles C4'-P-C4' energy: -15.028 flat angles P-C4'-P energy: -10.537 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: 10 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -145.945628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.945628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.945628 (E_RNA) where: Base-Base interactions energy: -87.323 where: short stacking energy: -56.771 Base-Backbone interact. energy: -0.031 local terms energy: -58.592188 where: bonds (distance) C4'-P energy: -7.419 bonds (distance) P-C4' energy: -15.320 flat angles C4'-P-C4' energy: -13.165 flat angles P-C4'-P energy: -7.074 tors. eta vs tors. theta energy: -15.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -112.783135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.783135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.783135 (E_RNA) where: Base-Base interactions energy: -52.720 where: short stacking energy: -52.720 Base-Backbone interact. energy: -0.061 local terms energy: -60.002285 where: bonds (distance) C4'-P energy: -13.934 bonds (distance) P-C4' energy: -16.224 flat angles C4'-P-C4' energy: -12.859 flat angles P-C4'-P energy: -6.271 tors. eta vs tors. theta energy: -10.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -129.375311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.375311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.375311 (E_RNA) where: Base-Base interactions energy: -72.938 where: short stacking energy: -40.868 Base-Backbone interact. energy: -0.350 local terms energy: -56.087686 where: bonds (distance) C4'-P energy: -13.411 bonds (distance) P-C4' energy: -15.246 flat angles C4'-P-C4' energy: -12.801 flat angles P-C4'-P energy: -7.148 tors. eta vs tors. theta energy: -7.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -129.854132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.854132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.854132 (E_RNA) where: Base-Base interactions energy: -79.174 where: short stacking energy: -43.296 Base-Backbone interact. energy: -0.067 local terms energy: -50.612770 where: bonds (distance) C4'-P energy: -11.615 bonds (distance) P-C4' energy: -15.980 flat angles C4'-P-C4' energy: -10.459 flat angles P-C4'-P energy: -4.430 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: 7, replica: 2 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -97.760166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.760166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.760166 (E_RNA) where: Base-Base interactions energy: -45.404 where: short stacking energy: -35.135 Base-Backbone interact. energy: -0.100 local terms energy: -52.255815 where: bonds (distance) C4'-P energy: -8.141 bonds (distance) P-C4' energy: -11.075 flat angles C4'-P-C4' energy: -12.352 flat angles P-C4'-P energy: -12.216 tors. eta vs tors. theta energy: -8.472 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: 5 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -87.810819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.810819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.810819 (E_RNA) where: Base-Base interactions energy: -37.671 where: short stacking energy: -33.010 Base-Backbone interact. energy: -0.039 local terms energy: -50.101218 where: bonds (distance) C4'-P energy: -12.921 bonds (distance) P-C4' energy: -12.510 flat angles C4'-P-C4' energy: -12.264 flat angles P-C4'-P energy: -6.556 tors. eta vs tors. theta energy: -5.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -78.405170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.405170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.405170 (E_RNA) where: Base-Base interactions energy: -42.156 where: short stacking energy: -39.973 Base-Backbone interact. energy: 1.170 local terms energy: -37.419502 where: bonds (distance) C4'-P energy: -12.071 bonds (distance) P-C4' energy: -9.616 flat angles C4'-P-C4' energy: -7.102 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -3.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -84.421001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.421001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.421001 (E_RNA) where: Base-Base interactions energy: -35.310 where: short stacking energy: -35.186 Base-Backbone interact. energy: 0.479 local terms energy: -49.589510 where: bonds (distance) C4'-P energy: -8.554 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -10.973 flat angles P-C4'-P energy: -9.162 tors. eta vs tors. theta energy: -6.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -148.495920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.495920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.495920 (E_RNA) where: Base-Base interactions energy: -87.524 where: short stacking energy: -56.170 Base-Backbone interact. energy: -0.011 local terms energy: -60.961068 where: bonds (distance) C4'-P energy: -12.864 bonds (distance) P-C4' energy: -12.081 flat angles C4'-P-C4' energy: -13.748 flat angles P-C4'-P energy: -9.728 tors. eta vs tors. theta energy: -12.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -154.350780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.350780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.350780 (E_RNA) where: Base-Base interactions energy: -89.481 where: short stacking energy: -53.207 Base-Backbone interact. energy: -0.081 local terms energy: -64.788433 where: bonds (distance) C4'-P energy: -15.341 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -14.057 flat angles P-C4'-P energy: -7.658 tors. eta vs tors. theta energy: -14.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -103.898538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.898538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.898538 (E_RNA) where: Base-Base interactions energy: -50.333 where: short stacking energy: -46.734 Base-Backbone interact. energy: -0.477 local terms energy: -53.088310 where: bonds (distance) C4'-P energy: -12.798 bonds (distance) P-C4' energy: -11.768 flat angles C4'-P-C4' energy: -10.809 flat angles P-C4'-P energy: -8.231 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: 4, replica: 10 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -134.564943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.564943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.564943 (E_RNA) where: Base-Base interactions energy: -78.184 where: short stacking energy: -45.821 Base-Backbone interact. energy: -0.284 local terms energy: -56.096805 where: bonds (distance) C4'-P energy: -13.061 bonds (distance) P-C4' energy: -12.334 flat angles C4'-P-C4' energy: -14.222 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -12.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -138.979109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.979109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.979109 (E_RNA) where: Base-Base interactions energy: -79.885 where: short stacking energy: -45.588 Base-Backbone interact. energy: -0.047 local terms energy: -59.047606 where: bonds (distance) C4'-P energy: -12.006 bonds (distance) P-C4' energy: -13.868 flat angles C4'-P-C4' energy: -13.047 flat angles P-C4'-P energy: -7.351 tors. eta vs tors. theta energy: -12.775 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: 9 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -126.984024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.984024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.984024 (E_RNA) where: Base-Base interactions energy: -74.682 where: short stacking energy: -45.002 Base-Backbone interact. energy: 0.301 local terms energy: -52.603575 where: bonds (distance) C4'-P energy: -11.263 bonds (distance) P-C4' energy: -13.517 flat angles C4'-P-C4' energy: -7.767 flat angles P-C4'-P energy: -8.526 tors. eta vs tors. theta energy: -11.531 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: 5 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -88.610833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.610833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.610833 (E_RNA) where: Base-Base interactions energy: -38.985 where: short stacking energy: -36.336 Base-Backbone interact. energy: -0.010 local terms energy: -49.615561 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -12.747 flat angles C4'-P-C4' energy: -8.931 flat angles P-C4'-P energy: -6.812 tors. eta vs tors. theta energy: -7.039 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: 2 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -82.365658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.365658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.365658 (E_RNA) where: Base-Base interactions energy: -34.398 where: short stacking energy: -34.398 Base-Backbone interact. energy: -0.433 local terms energy: -47.534221 where: bonds (distance) C4'-P energy: -12.231 bonds (distance) P-C4' energy: -15.094 flat angles C4'-P-C4' energy: -11.563 flat angles P-C4'-P energy: -5.949 tors. eta vs tors. theta energy: -2.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -81.387632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.387632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.387632 (E_RNA) where: Base-Base interactions energy: -45.574 where: short stacking energy: -45.574 Base-Backbone interact. energy: -0.000 local terms energy: -35.813678 where: bonds (distance) C4'-P energy: -6.915 bonds (distance) P-C4' energy: -12.830 flat angles C4'-P-C4' energy: -7.326 flat angles P-C4'-P energy: -1.632 tors. eta vs tors. theta energy: -7.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -74.162073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.162073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.162073 (E_RNA) where: Base-Base interactions energy: -28.152 where: short stacking energy: -28.152 Base-Backbone interact. energy: 0.819 local terms energy: -46.828933 where: bonds (distance) C4'-P energy: -7.983 bonds (distance) P-C4' energy: -12.615 flat angles C4'-P-C4' energy: -11.340 flat angles P-C4'-P energy: -11.309 tors. eta vs tors. theta energy: -3.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -163.794763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.794763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.794763 (E_RNA) where: Base-Base interactions energy: -97.253 where: short stacking energy: -66.972 Base-Backbone interact. energy: -0.002 local terms energy: -66.539933 where: bonds (distance) C4'-P energy: -10.410 bonds (distance) P-C4' energy: -16.025 flat angles C4'-P-C4' energy: -12.510 flat angles P-C4'-P energy: -8.849 tors. eta vs tors. theta energy: -18.747 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: 1 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -143.486987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.486987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.486987 (E_RNA) where: Base-Base interactions energy: -83.148 where: short stacking energy: -58.062 Base-Backbone interact. energy: 0.527 local terms energy: -60.866078 where: bonds (distance) C4'-P energy: -12.629 bonds (distance) P-C4' energy: -11.389 flat angles C4'-P-C4' energy: -12.887 flat angles P-C4'-P energy: -10.559 tors. eta vs tors. theta energy: -13.403 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: 4 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -119.215544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.215544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.215544 (E_RNA) where: Base-Base interactions energy: -59.106 where: short stacking energy: -55.053 Base-Backbone interact. energy: -0.026 local terms energy: -60.084252 where: bonds (distance) C4'-P energy: -10.248 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -14.567 flat angles P-C4'-P energy: -8.841 tors. eta vs tors. theta energy: -11.145 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: 8 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -124.381374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.381374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.381374 (E_RNA) where: Base-Base interactions energy: -75.477 where: short stacking energy: -38.872 Base-Backbone interact. energy: -0.188 local terms energy: -48.716451 where: bonds (distance) C4'-P energy: -9.061 bonds (distance) P-C4' energy: -10.286 flat angles C4'-P-C4' energy: -12.948 flat angles P-C4'-P energy: -8.136 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: 5, replica: 10 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -133.284757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.284757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.284757 (E_RNA) where: Base-Base interactions energy: -77.939 where: short stacking energy: -47.511 Base-Backbone interact. energy: -0.011 local terms energy: -55.334668 where: bonds (distance) C4'-P energy: -14.168 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -10.731 flat angles P-C4'-P energy: -8.619 tors. eta vs tors. theta energy: -8.073 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: 6, replica: 9 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -125.017646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.017646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.017646 (E_RNA) where: Base-Base interactions energy: -75.969 where: short stacking energy: -33.224 Base-Backbone interact. energy: -0.468 local terms energy: -48.579968 where: bonds (distance) C4'-P energy: -11.226 bonds (distance) P-C4' energy: -13.098 flat angles C4'-P-C4' energy: -9.232 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: -9.731 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: 5 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -87.433726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.433726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.433726 (E_RNA) where: Base-Base interactions energy: -42.742 where: short stacking energy: -34.181 Base-Backbone interact. energy: 0.397 local terms energy: -45.088795 where: bonds (distance) C4'-P energy: -13.125 bonds (distance) P-C4' energy: -8.303 flat angles C4'-P-C4' energy: -11.160 flat angles P-C4'-P energy: -7.202 tors. eta vs tors. theta energy: -5.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -80.596226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.596226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.596226 (E_RNA) where: Base-Base interactions energy: -27.603 where: short stacking energy: -27.603 Base-Backbone interact. energy: -0.200 local terms energy: -52.793067 where: bonds (distance) C4'-P energy: -10.351 bonds (distance) P-C4' energy: -12.944 flat angles C4'-P-C4' energy: -14.675 flat angles P-C4'-P energy: -10.594 tors. eta vs tors. theta energy: -4.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -69.583493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.583493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.583493 (E_RNA) where: Base-Base interactions energy: -26.455 where: short stacking energy: -19.140 Base-Backbone interact. energy: -0.153 local terms energy: -42.975274 where: bonds (distance) C4'-P energy: -8.587 bonds (distance) P-C4' energy: -12.473 flat angles C4'-P-C4' energy: -9.229 flat angles P-C4'-P energy: -11.128 tors. eta vs tors. theta energy: -1.557 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: 6 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -81.807826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.807826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.807826 (E_RNA) where: Base-Base interactions energy: -34.527 where: short stacking energy: -32.948 Base-Backbone interact. energy: -0.217 local terms energy: -47.063219 where: bonds (distance) C4'-P energy: -9.706 bonds (distance) P-C4' energy: -13.853 flat angles C4'-P-C4' energy: -9.790 flat angles P-C4'-P energy: -10.007 tors. eta vs tors. theta energy: -3.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -176.121478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.121478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.121478 (E_RNA) where: Base-Base interactions energy: -109.089 where: short stacking energy: -68.902 Base-Backbone interact. energy: -0.000 local terms energy: -67.032501 where: bonds (distance) C4'-P energy: -14.769 bonds (distance) P-C4' energy: -14.010 flat angles C4'-P-C4' energy: -10.960 flat angles P-C4'-P energy: -10.162 tors. eta vs tors. theta energy: -17.131 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: 1 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -146.990933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.990933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.990933 (E_RNA) where: Base-Base interactions energy: -84.142 where: short stacking energy: -55.294 Base-Backbone interact. energy: -0.037 local terms energy: -62.811886 where: bonds (distance) C4'-P energy: -11.535 bonds (distance) P-C4' energy: -14.118 flat angles C4'-P-C4' energy: -11.704 flat angles P-C4'-P energy: -11.087 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: 4 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -136.078690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.078690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.078690 (E_RNA) where: Base-Base interactions energy: -80.243 where: short stacking energy: -56.452 Base-Backbone interact. energy: -0.273 local terms energy: -55.563249 where: bonds (distance) C4'-P energy: -6.974 bonds (distance) P-C4' energy: -12.724 flat angles C4'-P-C4' energy: -14.950 flat angles P-C4'-P energy: -8.824 tors. eta vs tors. theta energy: -12.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -132.481429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.481429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.481429 (E_RNA) where: Base-Base interactions energy: -81.451 where: short stacking energy: -47.558 Base-Backbone interact. energy: -0.003 local terms energy: -51.027183 where: bonds (distance) C4'-P energy: -9.250 bonds (distance) P-C4' energy: -13.360 flat angles C4'-P-C4' energy: -12.867 flat angles P-C4'-P energy: -7.006 tors. eta vs tors. theta energy: -8.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -118.084242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.084242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.084242 (E_RNA) where: Base-Base interactions energy: -73.116 where: short stacking energy: -42.499 Base-Backbone interact. energy: -0.761 local terms energy: -44.207469 where: bonds (distance) C4'-P energy: -9.627 bonds (distance) P-C4' energy: -11.159 flat angles C4'-P-C4' energy: -10.193 flat angles P-C4'-P energy: -6.440 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: 6, replica: 10 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -126.255268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.255268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.255268 (E_RNA) where: Base-Base interactions energy: -72.278 where: short stacking energy: -34.990 Base-Backbone interact. energy: -0.063 local terms energy: -53.913606 where: bonds (distance) C4'-P energy: -11.793 bonds (distance) P-C4' energy: -14.671 flat angles C4'-P-C4' energy: -12.809 flat angles P-C4'-P energy: -7.455 tors. eta vs tors. theta energy: -7.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -91.453409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.453409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.453409 (E_RNA) where: Base-Base interactions energy: -46.315 where: short stacking energy: -34.006 Base-Backbone interact. energy: 4.532 local terms energy: -49.670388 where: bonds (distance) C4'-P energy: -12.611 bonds (distance) P-C4' energy: -11.496 flat angles C4'-P-C4' energy: -14.239 flat angles P-C4'-P energy: -6.985 tors. eta vs tors. theta energy: -4.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -77.551385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.551385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.551385 (E_RNA) where: Base-Base interactions energy: -38.971 where: short stacking energy: -31.332 Base-Backbone interact. energy: -1.263 local terms energy: -37.317786 where: bonds (distance) C4'-P energy: -11.096 bonds (distance) P-C4' energy: -11.802 flat angles C4'-P-C4' energy: -11.309 flat angles P-C4'-P energy: -4.317 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: 6 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -80.976745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.976745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.976745 (E_RNA) where: Base-Base interactions energy: -32.591 where: short stacking energy: -32.591 Base-Backbone interact. energy: -0.000 local terms energy: -48.385354 where: bonds (distance) C4'-P energy: -13.013 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -14.092 flat angles P-C4'-P energy: -0.555 tors. eta vs tors. theta energy: -7.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -67.496692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.496692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.496692 (E_RNA) where: Base-Base interactions energy: -27.098 where: short stacking energy: -27.098 Base-Backbone interact. energy: 0.101 local terms energy: -40.499819 where: bonds (distance) C4'-P energy: -11.370 bonds (distance) P-C4' energy: -13.253 flat angles C4'-P-C4' energy: -6.527 flat angles P-C4'-P energy: -7.329 tors. eta vs tors. theta energy: -2.021 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: 3 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -167.812030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.812030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.812030 (E_RNA) where: Base-Base interactions energy: -101.481 where: short stacking energy: -68.061 Base-Backbone interact. energy: -0.004 local terms energy: -66.327319 where: bonds (distance) C4'-P energy: -15.613 bonds (distance) P-C4' energy: -11.826 flat angles C4'-P-C4' energy: -13.011 flat angles P-C4'-P energy: -10.252 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: 2, replica: 4 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -137.302051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.302051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.302051 (E_RNA) where: Base-Base interactions energy: -74.500 where: short stacking energy: -54.653 Base-Backbone interact. energy: -1.594 local terms energy: -61.207905 where: bonds (distance) C4'-P energy: -11.643 bonds (distance) P-C4' energy: -13.356 flat angles C4'-P-C4' energy: -11.784 flat angles P-C4'-P energy: -9.176 tors. eta vs tors. theta energy: -15.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -139.437190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.437190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.437190 (E_RNA) where: Base-Base interactions energy: -81.850 where: short stacking energy: -45.338 Base-Backbone interact. energy: -0.663 local terms energy: -56.924358 where: bonds (distance) C4'-P energy: -13.776 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -13.113 flat angles P-C4'-P energy: -10.580 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: 4, replica: 8 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -112.378949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.378949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.378949 (E_RNA) where: Base-Base interactions energy: -64.132 where: short stacking energy: -35.580 Base-Backbone interact. energy: 0.318 local terms energy: -48.564733 where: bonds (distance) C4'-P energy: -10.141 bonds (distance) P-C4' energy: -14.388 flat angles C4'-P-C4' energy: -12.687 flat angles P-C4'-P energy: -5.835 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: 5, replica: 9 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -133.749100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.749100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.749100 (E_RNA) where: Base-Base interactions energy: -81.918 where: short stacking energy: -45.522 Base-Backbone interact. energy: -0.012 local terms energy: -51.818771 where: bonds (distance) C4'-P energy: -11.912 bonds (distance) P-C4' energy: -12.883 flat angles C4'-P-C4' energy: -10.994 flat angles P-C4'-P energy: -7.047 tors. eta vs tors. theta energy: -8.983 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: 7 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -78.378077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.378077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.378077 (E_RNA) where: Base-Base interactions energy: -28.273 where: short stacking energy: -21.625 Base-Backbone interact. energy: -0.370 local terms energy: -49.734877 where: bonds (distance) C4'-P energy: -13.373 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -14.126 flat angles P-C4'-P energy: -6.871 tors. eta vs tors. theta energy: -0.482 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: 10 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -119.599569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.599569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.599569 (E_RNA) where: Base-Base interactions energy: -71.336 where: short stacking energy: -39.550 Base-Backbone interact. energy: -0.050 local terms energy: -48.213214 where: bonds (distance) C4'-P energy: -10.955 bonds (distance) P-C4' energy: -12.154 flat angles C4'-P-C4' energy: -11.696 flat angles P-C4'-P energy: -5.131 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: 8, replica: 5 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -91.252956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.252956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.252956 (E_RNA) where: Base-Base interactions energy: -47.055 where: short stacking energy: -42.912 Base-Backbone interact. energy: 0.174 local terms energy: -44.372686 where: bonds (distance) C4'-P energy: -7.008 bonds (distance) P-C4' energy: -10.919 flat angles C4'-P-C4' energy: -13.651 flat angles P-C4'-P energy: -7.267 tors. eta vs tors. theta energy: -5.527 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: 9, replica: 6 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -80.216470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.216470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.216470 (E_RNA) where: Base-Base interactions energy: -30.971 where: short stacking energy: -31.881 Base-Backbone interact. energy: -0.328 local terms energy: -48.917334 where: bonds (distance) C4'-P energy: -12.429 bonds (distance) P-C4' energy: -14.042 flat angles C4'-P-C4' energy: -15.919 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: -1.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -79.177123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.177123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.177123 (E_RNA) where: Base-Base interactions energy: -35.372 where: short stacking energy: -35.372 Base-Backbone interact. energy: -0.103 local terms energy: -43.701895 where: bonds (distance) C4'-P energy: -10.988 bonds (distance) P-C4' energy: -11.327 flat angles C4'-P-C4' energy: -11.294 flat angles P-C4'-P energy: -5.923 tors. eta vs tors. theta energy: -4.169 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: 1, replica: 3 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -161.798236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.798236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.798236 (E_RNA) where: Base-Base interactions energy: -95.328 where: short stacking energy: -56.625 Base-Backbone interact. energy: -0.404 local terms energy: -66.065633 where: bonds (distance) C4'-P energy: -13.640 bonds (distance) P-C4' energy: -13.924 flat angles C4'-P-C4' energy: -12.776 flat angles P-C4'-P energy: -8.452 tors. eta vs tors. theta energy: -17.274 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: 2, replica: 4 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -143.798013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.798013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.798013 (E_RNA) where: Base-Base interactions energy: -80.072 where: short stacking energy: -60.098 Base-Backbone interact. energy: -0.671 local terms energy: -63.055152 where: bonds (distance) C4'-P energy: -12.318 bonds (distance) P-C4' energy: -11.828 flat angles C4'-P-C4' energy: -14.322 flat angles P-C4'-P energy: -11.637 tors. eta vs tors. theta energy: -12.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -146.573800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.573800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.573800 (E_RNA) where: Base-Base interactions energy: -91.149 where: short stacking energy: -59.358 Base-Backbone interact. energy: -0.115 local terms energy: -55.309651 where: bonds (distance) C4'-P energy: -12.790 bonds (distance) P-C4' energy: -12.353 flat angles C4'-P-C4' energy: -11.639 flat angles P-C4'-P energy: -5.425 tors. eta vs tors. theta energy: -13.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -135.369053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.369053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.369053 (E_RNA) where: Base-Base interactions energy: -78.840 where: short stacking energy: -50.552 Base-Backbone interact. energy: -0.544 local terms energy: -55.985207 where: bonds (distance) C4'-P energy: -13.911 bonds (distance) P-C4' energy: -10.072 flat angles C4'-P-C4' energy: -12.942 flat angles P-C4'-P energy: -10.003 tors. eta vs tors. theta energy: -9.057 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: 9 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -136.592106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.592106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.592106 (E_RNA) where: Base-Base interactions energy: -79.827 where: short stacking energy: -46.206 Base-Backbone interact. energy: -0.001 local terms energy: -56.764227 where: bonds (distance) C4'-P energy: -14.371 bonds (distance) P-C4' energy: -8.983 flat angles C4'-P-C4' energy: -14.162 flat angles P-C4'-P energy: -8.977 tors. eta vs tors. theta energy: -10.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -104.127713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.127713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.127713 (E_RNA) where: Base-Base interactions energy: -42.578 where: short stacking energy: -39.615 Base-Backbone interact. energy: -0.526 local terms energy: -61.024431 where: bonds (distance) C4'-P energy: -14.637 bonds (distance) P-C4' energy: -11.830 flat angles C4'-P-C4' energy: -14.817 flat angles P-C4'-P energy: -10.021 tors. eta vs tors. theta energy: -9.719 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: 7, replica: 5 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -98.501853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.501853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.501853 (E_RNA) where: Base-Base interactions energy: -45.736 where: short stacking energy: -44.866 Base-Backbone interact. energy: -0.160 local terms energy: -52.606337 where: bonds (distance) C4'-P energy: -9.296 bonds (distance) P-C4' energy: -12.225 flat angles C4'-P-C4' energy: -14.053 flat angles P-C4'-P energy: -9.674 tors. eta vs tors. theta energy: -7.358 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: 10 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -110.055336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.055336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.055336 (E_RNA) where: Base-Base interactions energy: -60.637 where: short stacking energy: -35.024 Base-Backbone interact. energy: -0.068 local terms energy: -49.350233 where: bonds (distance) C4'-P energy: -12.736 bonds (distance) P-C4' energy: -11.723 flat angles C4'-P-C4' energy: -8.955 flat angles P-C4'-P energy: -10.765 tors. eta vs tors. theta energy: -5.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -72.342960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.342960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.342960 (E_RNA) where: Base-Base interactions energy: -35.155 where: short stacking energy: -34.642 Base-Backbone interact. energy: -0.067 local terms energy: -37.120835 where: bonds (distance) C4'-P energy: -10.319 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -9.367 flat angles P-C4'-P energy: -7.253 tors. eta vs tors. theta energy: 0.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -83.797203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.797203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.797203 (E_RNA) where: Base-Base interactions energy: -36.366 where: short stacking energy: -36.366 Base-Backbone interact. energy: -0.106 local terms energy: -47.325476 where: bonds (distance) C4'-P energy: -10.487 bonds (distance) P-C4' energy: -10.555 flat angles C4'-P-C4' energy: -13.771 flat angles P-C4'-P energy: -7.327 tors. eta vs tors. theta energy: -5.186 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: 3 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -162.368619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.368619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.368619 (E_RNA) where: Base-Base interactions energy: -93.307 where: short stacking energy: -62.329 Base-Backbone interact. energy: -0.013 local terms energy: -69.048647 where: bonds (distance) C4'-P energy: -13.138 bonds (distance) P-C4' energy: -15.509 flat angles C4'-P-C4' energy: -13.754 flat angles P-C4'-P energy: -9.580 tors. eta vs tors. theta energy: -17.068 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: 1 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -149.452048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.452048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.452048 (E_RNA) where: Base-Base interactions energy: -86.764 where: short stacking energy: -58.499 Base-Backbone interact. energy: -0.090 local terms energy: -62.598044 where: bonds (distance) C4'-P energy: -14.244 bonds (distance) P-C4' energy: -15.519 flat angles C4'-P-C4' energy: -15.211 flat angles P-C4'-P energy: -6.930 tors. eta vs tors. theta energy: -10.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -127.270568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.270568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.270568 (E_RNA) where: Base-Base interactions energy: -69.699 where: short stacking energy: -52.023 Base-Backbone interact. energy: -0.245 local terms energy: -57.325989 where: bonds (distance) C4'-P energy: -12.236 bonds (distance) P-C4' energy: -12.860 flat angles C4'-P-C4' energy: -10.472 flat angles P-C4'-P energy: -11.747 tors. eta vs tors. theta energy: -10.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -133.275524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.275524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.275524 (E_RNA) where: Base-Base interactions energy: -78.746 where: short stacking energy: -44.898 Base-Backbone interact. energy: -0.021 local terms energy: -54.508035 where: bonds (distance) C4'-P energy: -13.293 bonds (distance) P-C4' energy: -10.349 flat angles C4'-P-C4' energy: -14.918 flat angles P-C4'-P energy: -8.410 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: 5, replica: 8 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -137.308384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.308384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.308384 (E_RNA) where: Base-Base interactions energy: -77.615 where: short stacking energy: -52.327 Base-Backbone interact. energy: -1.275 local terms energy: -58.417923 where: bonds (distance) C4'-P energy: -13.784 bonds (distance) P-C4' energy: -14.949 flat angles C4'-P-C4' energy: -13.225 flat angles P-C4'-P energy: -9.038 tors. eta vs tors. theta energy: -7.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -136.514054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.514054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.514054 (E_RNA) where: Base-Base interactions energy: -86.369 where: short stacking energy: -42.307 Base-Backbone interact. energy: -0.155 local terms energy: -49.989454 where: bonds (distance) C4'-P energy: -9.796 bonds (distance) P-C4' energy: -12.472 flat angles C4'-P-C4' energy: -13.255 flat angles P-C4'-P energy: -7.355 tors. eta vs tors. theta energy: -7.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -85.778598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.778598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.778598 (E_RNA) where: Base-Base interactions energy: -27.103 where: short stacking energy: -25.069 Base-Backbone interact. energy: -0.360 local terms energy: -58.315531 where: bonds (distance) C4'-P energy: -14.691 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -13.426 flat angles P-C4'-P energy: -10.245 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: 8, replica: 10 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -123.972750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.972750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.972750 (E_RNA) where: Base-Base interactions energy: -72.712 where: short stacking energy: -47.541 Base-Backbone interact. energy: 1.241 local terms energy: -52.500898 where: bonds (distance) C4'-P energy: -12.322 bonds (distance) P-C4' energy: -14.914 flat angles C4'-P-C4' energy: -11.278 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: -9.934 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: 2 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -74.033941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.033941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.033941 (E_RNA) where: Base-Base interactions energy: -30.416 where: short stacking energy: -30.416 Base-Backbone interact. energy: 0.207 local terms energy: -43.825381 where: bonds (distance) C4'-P energy: -11.829 bonds (distance) P-C4' energy: -11.910 flat angles C4'-P-C4' energy: -10.084 flat angles P-C4'-P energy: -7.505 tors. eta vs tors. theta energy: -2.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -75.719711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.719711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.719711 (E_RNA) where: Base-Base interactions energy: -38.434 where: short stacking energy: -38.327 Base-Backbone interact. energy: 0.578 local terms energy: -37.863933 where: bonds (distance) C4'-P energy: -10.740 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -7.833 flat angles P-C4'-P energy: -7.814 tors. eta vs tors. theta energy: -2.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -147.033825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.033825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.033825 (E_RNA) where: Base-Base interactions energy: -85.160 where: short stacking energy: -52.942 Base-Backbone interact. energy: -0.177 local terms energy: -61.696996 where: bonds (distance) C4'-P energy: -13.862 bonds (distance) P-C4' energy: -16.249 flat angles C4'-P-C4' energy: -12.973 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: -14.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -153.870168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.870168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.870168 (E_RNA) where: Base-Base interactions energy: -92.207 where: short stacking energy: -57.951 Base-Backbone interact. energy: -0.987 local terms energy: -60.676306 where: bonds (distance) C4'-P energy: -7.847 bonds (distance) P-C4' energy: -13.722 flat angles C4'-P-C4' energy: -14.096 flat angles P-C4'-P energy: -11.194 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: 3, replica: 9 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -138.271513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.271513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.271513 (E_RNA) where: Base-Base interactions energy: -77.619 where: short stacking energy: -41.378 Base-Backbone interact. energy: -0.855 local terms energy: -59.797158 where: bonds (distance) C4'-P energy: -13.776 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -13.026 flat angles P-C4'-P energy: -8.847 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: 4, replica: 4 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -108.563069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.563069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.563069 (E_RNA) where: Base-Base interactions energy: -53.014 where: short stacking energy: -47.081 Base-Backbone interact. energy: -0.007 local terms energy: -55.541911 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -16.038 flat angles C4'-P-C4' energy: -15.693 flat angles P-C4'-P energy: -6.651 tors. eta vs tors. theta energy: -9.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -128.073109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.073109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.073109 (E_RNA) where: Base-Base interactions energy: -72.491 where: short stacking energy: -46.946 Base-Backbone interact. energy: -0.339 local terms energy: -55.242486 where: bonds (distance) C4'-P energy: -11.759 bonds (distance) P-C4' energy: -15.252 flat angles C4'-P-C4' energy: -11.850 flat angles P-C4'-P energy: -6.679 tors. eta vs tors. theta energy: -9.703 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: 5 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -124.412684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.412684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.412684 (E_RNA) where: Base-Base interactions energy: -83.240 where: short stacking energy: -41.579 Base-Backbone interact. energy: -1.155 local terms energy: -40.017357 where: bonds (distance) C4'-P energy: -12.363 bonds (distance) P-C4' energy: -9.590 flat angles C4'-P-C4' energy: -8.813 flat angles P-C4'-P energy: -3.285 tors. eta vs tors. theta energy: -5.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -94.287361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.287361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.287361 (E_RNA) where: Base-Base interactions energy: -55.167 where: short stacking energy: -23.887 Base-Backbone interact. energy: 0.982 local terms energy: -40.102098 where: bonds (distance) C4'-P energy: -12.061 bonds (distance) P-C4' energy: -10.836 flat angles C4'-P-C4' energy: -11.718 flat angles P-C4'-P energy: -6.670 tors. eta vs tors. theta energy: 1.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -111.573823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.573823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.573823 (E_RNA) where: Base-Base interactions energy: -63.646 where: short stacking energy: -35.864 Base-Backbone interact. energy: -0.235 local terms energy: -47.692513 where: bonds (distance) C4'-P energy: -13.252 bonds (distance) P-C4' energy: -12.665 flat angles C4'-P-C4' energy: -10.311 flat angles P-C4'-P energy: -4.574 tors. eta vs tors. theta energy: -6.890 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: 9, replica: 2 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -83.764338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.764338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.764338 (E_RNA) where: Base-Base interactions energy: -37.640 where: short stacking energy: -29.125 Base-Backbone interact. energy: -1.354 local terms energy: -44.771035 where: bonds (distance) C4'-P energy: -14.574 bonds (distance) P-C4' energy: -12.722 flat angles C4'-P-C4' energy: -14.138 flat angles P-C4'-P energy: -2.024 tors. eta vs tors. theta energy: -1.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -71.671226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.671226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.671226 (E_RNA) where: Base-Base interactions energy: -28.129 where: short stacking energy: -27.295 Base-Backbone interact. energy: -0.499 local terms energy: -43.043685 where: bonds (distance) C4'-P energy: -10.976 bonds (distance) P-C4' energy: -14.639 flat angles C4'-P-C4' energy: -14.028 flat angles P-C4'-P energy: -3.048 tors. eta vs tors. theta energy: -0.352 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: 1 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -154.449546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.449546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.449546 (E_RNA) where: Base-Base interactions energy: -93.734 where: short stacking energy: -57.574 Base-Backbone interact. energy: -0.356 local terms energy: -60.358743 where: bonds (distance) C4'-P energy: -12.611 bonds (distance) P-C4' energy: -13.972 flat angles C4'-P-C4' energy: -11.890 flat angles P-C4'-P energy: -8.775 tors. eta vs tors. theta energy: -13.112 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: 71 Temperature: 0.950000 Total energy: -164.552618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.552618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.552618 (E_RNA) where: Base-Base interactions energy: -104.359 where: short stacking energy: -68.363 Base-Backbone interact. energy: -0.004 local terms energy: -60.189942 where: bonds (distance) C4'-P energy: -12.703 bonds (distance) P-C4' energy: -9.938 flat angles C4'-P-C4' energy: -10.155 flat angles P-C4'-P energy: -10.419 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: 3, replica: 9 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -129.184184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.184184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.184184 (E_RNA) where: Base-Base interactions energy: -78.617 where: short stacking energy: -47.150 Base-Backbone interact. energy: -0.002 local terms energy: -50.565459 where: bonds (distance) C4'-P energy: -11.313 bonds (distance) P-C4' energy: -11.651 flat angles C4'-P-C4' energy: -12.685 flat angles P-C4'-P energy: -8.492 tors. eta vs tors. theta energy: -6.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -127.408656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.408656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.408656 (E_RNA) where: Base-Base interactions energy: -70.802 where: short stacking energy: -41.832 Base-Backbone interact. energy: -0.048 local terms energy: -56.558608 where: bonds (distance) C4'-P energy: -13.804 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -9.307 flat angles P-C4'-P energy: -10.758 tors. eta vs tors. theta energy: -7.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -109.217478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.217478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.217478 (E_RNA) where: Base-Base interactions energy: -63.234 where: short stacking energy: -40.163 Base-Backbone interact. energy: -0.000 local terms energy: -45.982906 where: bonds (distance) C4'-P energy: -12.959 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -9.461 flat angles P-C4'-P energy: -6.505 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: 5 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -134.304523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.304523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.304523 (E_RNA) where: Base-Base interactions energy: -84.376 where: short stacking energy: -49.576 Base-Backbone interact. energy: -0.817 local terms energy: -49.111068 where: bonds (distance) C4'-P energy: -10.659 bonds (distance) P-C4' energy: -13.750 flat angles C4'-P-C4' energy: -11.173 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -8.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -99.018928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.018928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.018928 (E_RNA) where: Base-Base interactions energy: -46.261 where: short stacking energy: -42.162 Base-Backbone interact. energy: -0.007 local terms energy: -52.751421 where: bonds (distance) C4'-P energy: -11.735 bonds (distance) P-C4' energy: -9.284 flat angles C4'-P-C4' energy: -14.404 flat angles P-C4'-P energy: -7.973 tors. eta vs tors. theta energy: -9.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -83.338950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.338950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.338950 (E_RNA) where: Base-Base interactions energy: -45.264 where: short stacking energy: -36.544 Base-Backbone interact. energy: -0.124 local terms energy: -37.951557 where: bonds (distance) C4'-P energy: -8.676 bonds (distance) P-C4' energy: -12.564 flat angles C4'-P-C4' energy: -6.564 flat angles P-C4'-P energy: -3.952 tors. eta vs tors. theta energy: -6.196 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: 9, replica: 2 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -78.981438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.981438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.981438 (E_RNA) where: Base-Base interactions energy: -36.419 where: short stacking energy: -34.546 Base-Backbone interact. energy: 1.315 local terms energy: -43.877620 where: bonds (distance) C4'-P energy: -10.509 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -10.437 flat angles P-C4'-P energy: -9.778 tors. eta vs tors. theta energy: -5.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -71.722901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.722901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.722901 (E_RNA) where: Base-Base interactions energy: -28.326 where: short stacking energy: -27.329 Base-Backbone interact. energy: -0.061 local terms energy: -43.335334 where: bonds (distance) C4'-P energy: -12.633 bonds (distance) P-C4' energy: -12.475 flat angles C4'-P-C4' energy: -9.700 flat angles P-C4'-P energy: -3.819 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: 1, replica: 3 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -163.600311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.600311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.600311 (E_RNA) where: Base-Base interactions energy: -99.383 where: short stacking energy: -61.335 Base-Backbone interact. energy: -0.001 local terms energy: -64.216223 where: bonds (distance) C4'-P energy: -13.565 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -12.853 flat angles P-C4'-P energy: -7.451 tors. eta vs tors. theta energy: -14.831 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: 1 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -158.689622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.689622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.689622 (E_RNA) where: Base-Base interactions energy: -103.026 where: short stacking energy: -60.495 Base-Backbone interact. energy: -0.899 local terms energy: -54.764110 where: bonds (distance) C4'-P energy: -10.798 bonds (distance) P-C4' energy: -13.060 flat angles C4'-P-C4' energy: -14.046 flat angles P-C4'-P energy: -6.380 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: 3, replica: 8 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -143.580817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.580817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.580817 (E_RNA) where: Base-Base interactions energy: -86.206 where: short stacking energy: -54.611 Base-Backbone interact. energy: -0.009 local terms energy: -57.365717 where: bonds (distance) C4'-P energy: -10.037 bonds (distance) P-C4' energy: -14.970 flat angles C4'-P-C4' energy: -12.615 flat angles P-C4'-P energy: -8.356 tors. eta vs tors. theta energy: -11.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -144.605611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.605611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.605611 (E_RNA) where: Base-Base interactions energy: -84.643 where: short stacking energy: -55.851 Base-Backbone interact. energy: -0.207 local terms energy: -59.755820 where: bonds (distance) C4'-P energy: -11.100 bonds (distance) P-C4' energy: -14.382 flat angles C4'-P-C4' energy: -12.621 flat angles P-C4'-P energy: -8.366 tors. eta vs tors. theta energy: -13.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -131.234712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.234712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.234712 (E_RNA) where: Base-Base interactions energy: -74.793 where: short stacking energy: -46.516 Base-Backbone interact. energy: -0.281 local terms energy: -56.160326 where: bonds (distance) C4'-P energy: -13.771 bonds (distance) P-C4' energy: -13.833 flat angles C4'-P-C4' energy: -13.533 flat angles P-C4'-P energy: -6.393 tors. eta vs tors. theta energy: -8.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -91.095820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.095820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.095820 (E_RNA) where: Base-Base interactions energy: -40.541 where: short stacking energy: -25.700 Base-Backbone interact. energy: -0.319 local terms energy: -50.235308 where: bonds (distance) C4'-P energy: -12.719 bonds (distance) P-C4' energy: -15.682 flat angles C4'-P-C4' energy: -8.473 flat angles P-C4'-P energy: -7.687 tors. eta vs tors. theta energy: -5.674 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: 7 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -89.532459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.532459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.532459 (E_RNA) where: Base-Base interactions energy: -38.154 where: short stacking energy: -37.542 Base-Backbone interact. energy: -0.059 local terms energy: -51.320298 where: bonds (distance) C4'-P energy: -9.231 bonds (distance) P-C4' energy: -14.240 flat angles C4'-P-C4' energy: -11.895 flat angles P-C4'-P energy: -9.694 tors. eta vs tors. theta energy: -6.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -83.495444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.495444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.495444 (E_RNA) where: Base-Base interactions energy: -39.717 where: short stacking energy: -27.303 Base-Backbone interact. energy: -0.122 local terms energy: -43.655729 where: bonds (distance) C4'-P energy: -8.824 bonds (distance) P-C4' energy: -12.871 flat angles C4'-P-C4' energy: -12.659 flat angles P-C4'-P energy: -5.956 tors. eta vs tors. theta energy: -3.346 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: 6 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -81.997911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.997911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.997911 (E_RNA) where: Base-Base interactions energy: -34.908 where: short stacking energy: -34.908 Base-Backbone interact. energy: -0.064 local terms energy: -47.025167 where: bonds (distance) C4'-P energy: -8.919 bonds (distance) P-C4' energy: -14.973 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: -7.776 tors. eta vs tors. theta energy: -7.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -73.420711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.420711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.420711 (E_RNA) where: Base-Base interactions energy: -28.015 where: short stacking energy: -25.578 Base-Backbone interact. energy: -0.106 local terms energy: -45.299928 where: bonds (distance) C4'-P energy: -12.810 bonds (distance) P-C4' energy: -10.412 flat angles C4'-P-C4' energy: -10.039 flat angles P-C4'-P energy: -7.254 tors. eta vs tors. theta energy: -4.786 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: 3 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -163.184617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.184617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.184617 (E_RNA) where: Base-Base interactions energy: -96.514 where: short stacking energy: -66.401 Base-Backbone interact. energy: 0.156 local terms energy: -66.826557 where: bonds (distance) C4'-P energy: -15.125 bonds (distance) P-C4' energy: -12.495 flat angles C4'-P-C4' energy: -13.788 flat angles P-C4'-P energy: -9.755 tors. eta vs tors. theta energy: -15.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -155.106579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.106579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.106579 (E_RNA) where: Base-Base interactions energy: -93.483 where: short stacking energy: -58.388 Base-Backbone interact. energy: -0.004 local terms energy: -61.619810 where: bonds (distance) C4'-P energy: -12.893 bonds (distance) P-C4' energy: -13.861 flat angles C4'-P-C4' energy: -12.833 flat angles P-C4'-P energy: -7.622 tors. eta vs tors. theta energy: -14.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -155.153250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.153250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.153250 (E_RNA) where: Base-Base interactions energy: -92.840 where: short stacking energy: -59.879 Base-Backbone interact. energy: -0.683 local terms energy: -61.630030 where: bonds (distance) C4'-P energy: -14.719 bonds (distance) P-C4' energy: -13.215 flat angles C4'-P-C4' energy: -12.550 flat angles P-C4'-P energy: -8.002 tors. eta vs tors. theta energy: -13.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -142.612819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.612819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.612819 (E_RNA) where: Base-Base interactions energy: -87.761 where: short stacking energy: -53.621 Base-Backbone interact. energy: -0.002 local terms energy: -54.849097 where: bonds (distance) C4'-P energy: -11.431 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -12.493 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: -11.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -128.908097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.908097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.908097 (E_RNA) where: Base-Base interactions energy: -75.878 where: short stacking energy: -36.254 Base-Backbone interact. energy: -0.356 local terms energy: -52.673881 where: bonds (distance) C4'-P energy: -14.620 bonds (distance) P-C4' energy: -11.205 flat angles C4'-P-C4' energy: -7.593 flat angles P-C4'-P energy: -9.301 tors. eta vs tors. theta energy: -9.954 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: 7 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -86.352700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.352700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.352700 (E_RNA) where: Base-Base interactions energy: -39.718 where: short stacking energy: -30.184 Base-Backbone interact. energy: -1.180 local terms energy: -45.454747 where: bonds (distance) C4'-P energy: -11.173 bonds (distance) P-C4' energy: -11.747 flat angles C4'-P-C4' energy: -11.764 flat angles P-C4'-P energy: -8.166 tors. eta vs tors. theta energy: -2.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -98.029062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.029062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.029062 (E_RNA) where: Base-Base interactions energy: -42.908 where: short stacking energy: -37.423 Base-Backbone interact. energy: -0.199 local terms energy: -54.922041 where: bonds (distance) C4'-P energy: -14.136 bonds (distance) P-C4' energy: -14.113 flat angles C4'-P-C4' energy: -9.180 flat angles P-C4'-P energy: -7.637 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: 8, replica: 6 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -89.821368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.821368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.821368 (E_RNA) where: Base-Base interactions energy: -36.954 where: short stacking energy: -36.135 Base-Backbone interact. energy: -0.129 local terms energy: -52.738243 where: bonds (distance) C4'-P energy: -12.070 bonds (distance) P-C4' energy: -12.529 flat angles C4'-P-C4' energy: -13.678 flat angles P-C4'-P energy: -5.691 tors. eta vs tors. theta energy: -8.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -73.677863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.677863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.677863 (E_RNA) where: Base-Base interactions energy: -24.535 where: short stacking energy: -24.535 Base-Backbone interact. energy: 0.655 local terms energy: -49.797383 where: bonds (distance) C4'-P energy: -11.930 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -13.100 flat angles P-C4'-P energy: -6.968 tors. eta vs tors. theta energy: -4.224 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: 2 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -76.242647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.242647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.242647 (E_RNA) where: Base-Base interactions energy: -32.381 where: short stacking energy: -32.283 Base-Backbone interact. energy: -0.118 local terms energy: -43.744256 where: bonds (distance) C4'-P energy: -8.451 bonds (distance) P-C4' energy: -13.169 flat angles C4'-P-C4' energy: -12.399 flat angles P-C4'-P energy: -4.554 tors. eta vs tors. theta energy: -5.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -163.187601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.187601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.187601 (E_RNA) where: Base-Base interactions energy: -98.547 where: short stacking energy: -60.790 Base-Backbone interact. energy: -0.000 local terms energy: -64.640184 where: bonds (distance) C4'-P energy: -10.808 bonds (distance) P-C4' energy: -14.382 flat angles C4'-P-C4' energy: -13.948 flat angles P-C4'-P energy: -10.482 tors. eta vs tors. theta energy: -15.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -147.019183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.019183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.019183 (E_RNA) where: Base-Base interactions energy: -89.075 where: short stacking energy: -54.821 Base-Backbone interact. energy: -0.001 local terms energy: -57.942535 where: bonds (distance) C4'-P energy: -14.673 bonds (distance) P-C4' energy: -10.475 flat angles C4'-P-C4' energy: -12.948 flat angles P-C4'-P energy: -6.952 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: 1 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -157.703410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.703410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.703410 (E_RNA) where: Base-Base interactions energy: -97.367 where: short stacking energy: -59.043 Base-Backbone interact. energy: -0.013 local terms energy: -60.323425 where: bonds (distance) C4'-P energy: -13.195 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -12.542 flat angles P-C4'-P energy: -5.280 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: 4, replica: 5 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -153.335054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.335054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.335054 (E_RNA) where: Base-Base interactions energy: -97.776 where: short stacking energy: -59.145 Base-Backbone interact. energy: -0.366 local terms energy: -55.192623 where: bonds (distance) C4'-P energy: -14.019 bonds (distance) P-C4' energy: -7.721 flat angles C4'-P-C4' energy: -11.232 flat angles P-C4'-P energy: -9.187 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: 5, replica: 9 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -130.554794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.554794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.554794 (E_RNA) where: Base-Base interactions energy: -76.869 where: short stacking energy: -48.060 Base-Backbone interact. energy: -0.110 local terms energy: -53.575922 where: bonds (distance) C4'-P energy: -12.157 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -10.026 flat angles P-C4'-P energy: -7.107 tors. eta vs tors. theta energy: -10.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -94.335334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.335334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.335334 (E_RNA) where: Base-Base interactions energy: -44.555 where: short stacking energy: -39.657 Base-Backbone interact. energy: -0.001 local terms energy: -49.779678 where: bonds (distance) C4'-P energy: -12.347 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -12.636 flat angles P-C4'-P energy: -5.545 tors. eta vs tors. theta energy: -4.885 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: 4 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -97.420814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.420814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.420814 (E_RNA) where: Base-Base interactions energy: -47.970 where: short stacking energy: -32.076 Base-Backbone interact. energy: -0.112 local terms energy: -49.339217 where: bonds (distance) C4'-P energy: -11.982 bonds (distance) P-C4' energy: -13.356 flat angles C4'-P-C4' energy: -12.633 flat angles P-C4'-P energy: -9.621 tors. eta vs tors. theta energy: -1.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -74.663248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.663248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.663248 (E_RNA) where: Base-Base interactions energy: -28.248 where: short stacking energy: -28.248 Base-Backbone interact. energy: -0.389 local terms energy: -46.026393 where: bonds (distance) C4'-P energy: -9.790 bonds (distance) P-C4' energy: -14.793 flat angles C4'-P-C4' energy: -8.830 flat angles P-C4'-P energy: -11.585 tors. eta vs tors. theta energy: -1.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -83.759696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.759696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.759696 (E_RNA) where: Base-Base interactions energy: -35.731 where: short stacking energy: -34.180 Base-Backbone interact. energy: 0.700 local terms energy: -48.728447 where: bonds (distance) C4'-P energy: -12.330 bonds (distance) P-C4' energy: -12.631 flat angles C4'-P-C4' energy: -8.646 flat angles P-C4'-P energy: -9.510 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: 10, replica: 10 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -79.193568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.193568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.193568 (E_RNA) where: Base-Base interactions energy: -32.449 where: short stacking energy: -32.449 Base-Backbone interact. energy: -0.099 local terms energy: -46.645141 where: bonds (distance) C4'-P energy: -13.565 bonds (distance) P-C4' energy: -8.173 flat angles C4'-P-C4' energy: -7.733 flat angles P-C4'-P energy: -11.958 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: 1, replica: 8 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -161.261834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.261834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.261834 (E_RNA) where: Base-Base interactions energy: -99.344 where: short stacking energy: -64.949 Base-Backbone interact. energy: -0.001 local terms energy: -61.916499 where: bonds (distance) C4'-P energy: -9.093 bonds (distance) P-C4' energy: -15.237 flat angles C4'-P-C4' energy: -13.092 flat angles P-C4'-P energy: -8.582 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: 1 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -160.978745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.978745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.978745 (E_RNA) where: Base-Base interactions energy: -95.264 where: short stacking energy: -53.185 Base-Backbone interact. energy: -0.796 local terms energy: -64.919007 where: bonds (distance) C4'-P energy: -10.364 bonds (distance) P-C4' energy: -15.939 flat angles C4'-P-C4' energy: -12.780 flat angles P-C4'-P energy: -9.690 tors. eta vs tors. theta energy: -16.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -147.450960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.450960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.450960 (E_RNA) where: Base-Base interactions energy: -86.629 where: short stacking energy: -54.932 Base-Backbone interact. energy: -0.058 local terms energy: -60.763513 where: bonds (distance) C4'-P energy: -12.903 bonds (distance) P-C4' energy: -13.591 flat angles C4'-P-C4' energy: -14.748 flat angles P-C4'-P energy: -6.003 tors. eta vs tors. theta energy: -13.518 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: 5 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -155.912287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.912287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.912287 (E_RNA) where: Base-Base interactions energy: -96.656 where: short stacking energy: -57.934 Base-Backbone interact. energy: -0.419 local terms energy: -58.836868 where: bonds (distance) C4'-P energy: -11.348 bonds (distance) P-C4' energy: -11.824 flat angles C4'-P-C4' energy: -11.753 flat angles P-C4'-P energy: -9.389 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: 5, replica: 9 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -146.139449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.139449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.139449 (E_RNA) where: Base-Base interactions energy: -95.774 where: short stacking energy: -56.918 Base-Backbone interact. energy: -0.333 local terms energy: -50.032737 where: bonds (distance) C4'-P energy: -12.309 bonds (distance) P-C4' energy: -10.410 flat angles C4'-P-C4' energy: -8.452 flat angles P-C4'-P energy: -5.875 tors. eta vs tors. theta energy: -12.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -100.019594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.019594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.019594 (E_RNA) where: Base-Base interactions energy: -59.332 where: short stacking energy: -37.770 Base-Backbone interact. energy: -0.075 local terms energy: -40.612854 where: bonds (distance) C4'-P energy: -9.234 bonds (distance) P-C4' energy: -7.933 flat angles C4'-P-C4' energy: -12.851 flat angles P-C4'-P energy: -8.175 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: 7, replica: 7 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -91.975337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.975337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.975337 (E_RNA) where: Base-Base interactions energy: -45.614 where: short stacking energy: -40.584 Base-Backbone interact. energy: -0.060 local terms energy: -46.300926 where: bonds (distance) C4'-P energy: -9.914 bonds (distance) P-C4' energy: -10.056 flat angles C4'-P-C4' energy: -11.085 flat angles P-C4'-P energy: -7.122 tors. eta vs tors. theta energy: -8.125 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: 2 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -84.916786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.916786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.916786 (E_RNA) where: Base-Base interactions energy: -33.491 where: short stacking energy: -33.491 Base-Backbone interact. energy: -0.124 local terms energy: -51.301962 where: bonds (distance) C4'-P energy: -11.208 bonds (distance) P-C4' energy: -12.662 flat angles C4'-P-C4' energy: -10.227 flat angles P-C4'-P energy: -10.292 tors. eta vs tors. theta energy: -6.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -71.878631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.878631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.878631 (E_RNA) where: Base-Base interactions energy: -33.766 where: short stacking energy: -33.766 Base-Backbone interact. energy: -0.063 local terms energy: -38.049210 where: bonds (distance) C4'-P energy: -12.298 bonds (distance) P-C4' energy: -14.418 flat angles C4'-P-C4' energy: -4.074 flat angles P-C4'-P energy: -3.674 tors. eta vs tors. theta energy: -3.585 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: 10, replica: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -83.356927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.356927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.356927 (E_RNA) where: Base-Base interactions energy: -39.830 where: short stacking energy: -36.408 Base-Backbone interact. energy: -0.381 local terms energy: -43.145955 where: bonds (distance) C4'-P energy: -6.990 bonds (distance) P-C4' energy: -10.979 flat angles C4'-P-C4' energy: -11.443 flat angles P-C4'-P energy: -8.873 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: 1, replica: 8 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -167.984632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.984632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.984632 (E_RNA) where: Base-Base interactions energy: -94.437 where: short stacking energy: -62.957 Base-Backbone interact. energy: -0.001 local terms energy: -73.546976 where: bonds (distance) C4'-P energy: -15.253 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -16.202 flat angles P-C4'-P energy: -10.057 tors. eta vs tors. theta energy: -17.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -156.074149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.074149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.074149 (E_RNA) where: Base-Base interactions energy: -96.910 where: short stacking energy: -58.292 Base-Backbone interact. energy: -0.002 local terms energy: -59.162339 where: bonds (distance) C4'-P energy: -14.538 bonds (distance) P-C4' energy: -11.651 flat angles C4'-P-C4' energy: -10.920 flat angles P-C4'-P energy: -7.988 tors. eta vs tors. theta energy: -14.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -143.176490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.176490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.176490 (E_RNA) where: Base-Base interactions energy: -87.008 where: short stacking energy: -54.934 Base-Backbone interact. energy: -0.108 local terms energy: -56.059644 where: bonds (distance) C4'-P energy: -11.796 bonds (distance) P-C4' energy: -15.134 flat angles C4'-P-C4' energy: -9.388 flat angles P-C4'-P energy: -8.502 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: 4, replica: 3 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -143.003775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.003775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.003775 (E_RNA) where: Base-Base interactions energy: -86.232 where: short stacking energy: -51.264 Base-Backbone interact. energy: -0.075 local terms energy: -56.696274 where: bonds (distance) C4'-P energy: -14.112 bonds (distance) P-C4' energy: -13.440 flat angles C4'-P-C4' energy: -13.481 flat angles P-C4'-P energy: -6.010 tors. eta vs tors. theta energy: -9.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -141.932276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.932276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.932276 (E_RNA) where: Base-Base interactions energy: -87.457 where: short stacking energy: -60.351 Base-Backbone interact. energy: -0.213 local terms energy: -54.262751 where: bonds (distance) C4'-P energy: -11.681 bonds (distance) P-C4' energy: -6.299 flat angles C4'-P-C4' energy: -12.869 flat angles P-C4'-P energy: -5.680 tors. eta vs tors. theta energy: -17.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -89.804728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.804728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.804728 (E_RNA) where: Base-Base interactions energy: -39.341 where: short stacking energy: -39.341 Base-Backbone interact. energy: 0.362 local terms energy: -50.825562 where: bonds (distance) C4'-P energy: -8.358 bonds (distance) P-C4' energy: -12.109 flat angles C4'-P-C4' energy: -11.379 flat angles P-C4'-P energy: -11.272 tors. eta vs tors. theta energy: -7.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -91.532469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.532469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.532469 (E_RNA) where: Base-Base interactions energy: -43.381 where: short stacking energy: -35.963 Base-Backbone interact. energy: -0.189 local terms energy: -47.961706 where: bonds (distance) C4'-P energy: -12.098 bonds (distance) P-C4' energy: -13.188 flat angles C4'-P-C4' energy: -12.375 flat angles P-C4'-P energy: -7.917 tors. eta vs tors. theta energy: -2.383 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: 7 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -90.398280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.398280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.398280 (E_RNA) where: Base-Base interactions energy: -51.848 where: short stacking energy: -40.942 Base-Backbone interact. energy: -0.976 local terms energy: -37.574288 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -10.823 flat angles C4'-P-C4' energy: -10.358 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -6.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -77.705483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.705483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.705483 (E_RNA) where: Base-Base interactions energy: -34.499 where: short stacking energy: -34.499 Base-Backbone interact. energy: 0.968 local terms energy: -44.174172 where: bonds (distance) C4'-P energy: -6.494 bonds (distance) P-C4' energy: -11.809 flat angles C4'-P-C4' energy: -7.102 flat angles P-C4'-P energy: -10.669 tors. eta vs tors. theta energy: -8.100 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: 6 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -70.989597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.989597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.989597 (E_RNA) where: Base-Base interactions energy: -28.280 where: short stacking energy: -25.781 Base-Backbone interact. energy: -1.099 local terms energy: -41.610605 where: bonds (distance) C4'-P energy: -8.688 bonds (distance) P-C4' energy: -10.437 flat angles C4'-P-C4' energy: -9.592 flat angles P-C4'-P energy: -8.982 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: 8 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -177.239711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.239711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.239711 (E_RNA) where: Base-Base interactions energy: -111.697 where: short stacking energy: -72.555 Base-Backbone interact. energy: -0.001 local terms energy: -65.542477 where: bonds (distance) C4'-P energy: -11.113 bonds (distance) P-C4' energy: -12.737 flat angles C4'-P-C4' energy: -12.977 flat angles P-C4'-P energy: -10.298 tors. eta vs tors. theta energy: -18.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -141.431933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.431933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.431933 (E_RNA) where: Base-Base interactions energy: -82.054 where: short stacking energy: -51.172 Base-Backbone interact. energy: -0.074 local terms energy: -59.303823 where: bonds (distance) C4'-P energy: -13.659 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -9.583 flat angles P-C4'-P energy: -8.289 tors. eta vs tors. theta energy: -11.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -140.861660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.861660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.861660 (E_RNA) where: Base-Base interactions energy: -91.326 where: short stacking energy: -50.737 Base-Backbone interact. energy: -0.030 local terms energy: -49.506466 where: bonds (distance) C4'-P energy: -8.360 bonds (distance) P-C4' energy: -10.282 flat angles C4'-P-C4' energy: -13.252 flat angles P-C4'-P energy: -8.265 tors. eta vs tors. theta energy: -9.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -142.097758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.097758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.097758 (E_RNA) where: Base-Base interactions energy: -82.979 where: short stacking energy: -53.028 Base-Backbone interact. energy: -0.339 local terms energy: -58.779349 where: bonds (distance) C4'-P energy: -12.401 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -10.838 flat angles P-C4'-P energy: -8.135 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: 5, replica: 3 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -136.848308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.848308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.848308 (E_RNA) where: Base-Base interactions energy: -79.501 where: short stacking energy: -45.200 Base-Backbone interact. energy: -0.067 local terms energy: -57.279948 where: bonds (distance) C4'-P energy: -14.913 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -11.765 flat angles P-C4'-P energy: -7.950 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: 6, replica: 2 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -96.600809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.600809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.600809 (E_RNA) where: Base-Base interactions energy: -48.274 where: short stacking energy: -45.010 Base-Backbone interact. energy: -0.381 local terms energy: -47.945903 where: bonds (distance) C4'-P energy: -11.942 bonds (distance) P-C4' energy: -13.944 flat angles C4'-P-C4' energy: -9.643 flat angles P-C4'-P energy: -4.835 tors. eta vs tors. theta energy: -7.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -82.680016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.680016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.680016 (E_RNA) where: Base-Base interactions energy: -35.880 where: short stacking energy: -35.880 Base-Backbone interact. energy: -0.390 local terms energy: -46.410160 where: bonds (distance) C4'-P energy: -12.156 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -12.209 flat angles P-C4'-P energy: -4.014 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: 8, replica: 10 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -84.316490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.316490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.316490 (E_RNA) where: Base-Base interactions energy: -31.796 where: short stacking energy: -29.408 Base-Backbone interact. energy: -0.088 local terms energy: -52.432713 where: bonds (distance) C4'-P energy: -10.903 bonds (distance) P-C4' energy: -13.945 flat angles C4'-P-C4' energy: -15.157 flat angles P-C4'-P energy: -9.306 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: 7 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -75.470251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.470251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.470251 (E_RNA) where: Base-Base interactions energy: -25.420 where: short stacking energy: -23.953 Base-Backbone interact. energy: -0.448 local terms energy: -49.602096 where: bonds (distance) C4'-P energy: -13.055 bonds (distance) P-C4' energy: -12.352 flat angles C4'-P-C4' energy: -13.658 flat angles P-C4'-P energy: -9.577 tors. eta vs tors. theta energy: -0.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -70.665318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.665318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.665318 (E_RNA) where: Base-Base interactions energy: -29.276 where: short stacking energy: -29.276 Base-Backbone interact. energy: -0.353 local terms energy: -41.036824 where: bonds (distance) C4'-P energy: -10.679 bonds (distance) P-C4' energy: -9.962 flat angles C4'-P-C4' energy: -8.687 flat angles P-C4'-P energy: -9.204 tors. eta vs tors. theta energy: -2.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -166.703998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.703998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.703998 (E_RNA) where: Base-Base interactions energy: -104.731 where: short stacking energy: -67.703 Base-Backbone interact. energy: -0.004 local terms energy: -61.969221 where: bonds (distance) C4'-P energy: -12.070 bonds (distance) P-C4' energy: -10.550 flat angles C4'-P-C4' energy: -10.824 flat angles P-C4'-P energy: -9.382 tors. eta vs tors. theta energy: -19.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -153.612939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.612939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.612939 (E_RNA) where: Base-Base interactions energy: -91.902 where: short stacking energy: -57.778 Base-Backbone interact. energy: 0.283 local terms energy: -61.994155 where: bonds (distance) C4'-P energy: -9.160 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -14.053 flat angles P-C4'-P energy: -9.791 tors. eta vs tors. theta energy: -13.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -141.449997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.449997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.449997 (E_RNA) where: Base-Base interactions energy: -87.474 where: short stacking energy: -51.055 Base-Backbone interact. energy: -0.696 local terms energy: -53.280165 where: bonds (distance) C4'-P energy: -13.647 bonds (distance) P-C4' energy: -12.578 flat angles C4'-P-C4' energy: -10.665 flat angles P-C4'-P energy: -5.875 tors. eta vs tors. theta energy: -10.515 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: 1 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -136.853176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.853176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.853176 (E_RNA) where: Base-Base interactions energy: -82.472 where: short stacking energy: -46.493 Base-Backbone interact. energy: -0.089 local terms energy: -54.292248 where: bonds (distance) C4'-P energy: -13.316 bonds (distance) P-C4' energy: -13.909 flat angles C4'-P-C4' energy: -11.760 flat angles P-C4'-P energy: -8.288 tors. eta vs tors. theta energy: -7.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -134.567606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.567606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.567606 (E_RNA) where: Base-Base interactions energy: -81.217 where: short stacking energy: -50.115 Base-Backbone interact. energy: 0.041 local terms energy: -53.391467 where: bonds (distance) C4'-P energy: -12.352 bonds (distance) P-C4' energy: -11.683 flat angles C4'-P-C4' energy: -13.613 flat angles P-C4'-P energy: -4.776 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: 2 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -98.193732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.193732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.193732 (E_RNA) where: Base-Base interactions energy: -43.171 where: short stacking energy: -37.506 Base-Backbone interact. energy: -0.362 local terms energy: -54.661373 where: bonds (distance) C4'-P energy: -13.642 bonds (distance) P-C4' energy: -14.961 flat angles C4'-P-C4' energy: -12.207 flat angles P-C4'-P energy: -7.615 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: 7, replica: 10 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -91.191742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.191742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.191742 (E_RNA) where: Base-Base interactions energy: -39.526 where: short stacking energy: -38.925 Base-Backbone interact. energy: -0.047 local terms energy: -51.618812 where: bonds (distance) C4'-P energy: -14.397 bonds (distance) P-C4' energy: -12.102 flat angles C4'-P-C4' energy: -13.317 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: -7.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -92.332398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.332398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.332398 (E_RNA) where: Base-Base interactions energy: -58.120 where: short stacking energy: -41.753 Base-Backbone interact. energy: -0.015 local terms energy: -34.197564 where: bonds (distance) C4'-P energy: -10.927 bonds (distance) P-C4' energy: -4.525 flat angles C4'-P-C4' energy: -8.203 flat angles P-C4'-P energy: -6.363 tors. eta vs tors. theta energy: -4.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -75.961225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.961225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.961225 (E_RNA) where: Base-Base interactions energy: -31.992 where: short stacking energy: -29.912 Base-Backbone interact. energy: -0.104 local terms energy: -43.864484 where: bonds (distance) C4'-P energy: -12.649 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -13.796 flat angles P-C4'-P energy: -8.411 tors. eta vs tors. theta energy: -1.147 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: 6 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -73.932023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.932023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.932023 (E_RNA) where: Base-Base interactions energy: -29.626 where: short stacking energy: -25.708 Base-Backbone interact. energy: -0.117 local terms energy: -44.188784 where: bonds (distance) C4'-P energy: -12.762 bonds (distance) P-C4' energy: -8.896 flat angles C4'-P-C4' energy: -8.464 flat angles P-C4'-P energy: -9.269 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: 1, replica: 8 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -169.392807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.392807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.392807 (E_RNA) where: Base-Base interactions energy: -106.577 where: short stacking energy: -70.799 Base-Backbone interact. energy: -0.000 local terms energy: -62.815902 where: bonds (distance) C4'-P energy: -10.878 bonds (distance) P-C4' energy: -12.185 flat angles C4'-P-C4' energy: -14.287 flat angles P-C4'-P energy: -6.422 tors. eta vs tors. theta energy: -19.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -153.163412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.163412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.163412 (E_RNA) where: Base-Base interactions energy: -90.622 where: short stacking energy: -54.571 Base-Backbone interact. energy: 0.869 local terms energy: -63.410187 where: bonds (distance) C4'-P energy: -11.969 bonds (distance) P-C4' energy: -15.815 flat angles C4'-P-C4' energy: -10.673 flat angles P-C4'-P energy: -8.519 tors. eta vs tors. theta energy: -16.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -145.332906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.332906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.332906 (E_RNA) where: Base-Base interactions energy: -88.346 where: short stacking energy: -58.505 Base-Backbone interact. energy: -0.017 local terms energy: -56.970030 where: bonds (distance) C4'-P energy: -11.316 bonds (distance) P-C4' energy: -13.859 flat angles C4'-P-C4' energy: -10.944 flat angles P-C4'-P energy: -7.610 tors. eta vs tors. theta energy: -13.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -133.661004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.661004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.661004 (E_RNA) where: Base-Base interactions energy: -75.396 where: short stacking energy: -41.776 Base-Backbone interact. energy: -0.006 local terms energy: -58.259417 where: bonds (distance) C4'-P energy: -13.991 bonds (distance) P-C4' energy: -12.073 flat angles C4'-P-C4' energy: -12.654 flat angles P-C4'-P energy: -8.043 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: 5, replica: 1 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -154.268773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.268773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.268773 (E_RNA) where: Base-Base interactions energy: -94.693 where: short stacking energy: -58.772 Base-Backbone interact. energy: -0.005 local terms energy: -59.570947 where: bonds (distance) C4'-P energy: -13.216 bonds (distance) P-C4' energy: -11.292 flat angles C4'-P-C4' energy: -10.627 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: -16.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -88.208653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.208653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.208653 (E_RNA) where: Base-Base interactions energy: -40.780 where: short stacking energy: -34.753 Base-Backbone interact. energy: -0.203 local terms energy: -47.225253 where: bonds (distance) C4'-P energy: -12.841 bonds (distance) P-C4' energy: -11.760 flat angles C4'-P-C4' energy: -12.686 flat angles P-C4'-P energy: -6.307 tors. eta vs tors. theta energy: -3.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -78.673314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.673314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.673314 (E_RNA) where: Base-Base interactions energy: -30.723 where: short stacking energy: -30.723 Base-Backbone interact. energy: -0.129 local terms energy: -47.821738 where: bonds (distance) C4'-P energy: -12.822 bonds (distance) P-C4' energy: -12.083 flat angles C4'-P-C4' energy: -10.808 flat angles P-C4'-P energy: -8.043 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: 4 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -91.218973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.218973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.218973 (E_RNA) where: Base-Base interactions energy: -40.836 where: short stacking energy: -39.257 Base-Backbone interact. energy: -0.113 local terms energy: -50.269674 where: bonds (distance) C4'-P energy: -13.058 bonds (distance) P-C4' energy: -8.255 flat angles C4'-P-C4' energy: -8.597 flat angles P-C4'-P energy: -10.059 tors. eta vs tors. theta energy: -10.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -69.849814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.849814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.849814 (E_RNA) where: Base-Base interactions energy: -25.533 where: short stacking energy: -24.587 Base-Backbone interact. energy: -0.209 local terms energy: -44.107986 where: bonds (distance) C4'-P energy: -12.064 bonds (distance) P-C4' energy: -10.660 flat angles C4'-P-C4' energy: -11.676 flat angles P-C4'-P energy: -7.763 tors. eta vs tors. theta energy: -1.944 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: 6 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -77.010014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.010014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.010014 (E_RNA) where: Base-Base interactions energy: -34.780 where: short stacking energy: -29.868 Base-Backbone interact. energy: -0.018 local terms energy: -42.212289 where: bonds (distance) C4'-P energy: -11.547 bonds (distance) P-C4' energy: -10.648 flat angles C4'-P-C4' energy: -11.902 flat angles P-C4'-P energy: -6.888 tors. eta vs tors. theta energy: -1.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -162.730772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.730772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.730772 (E_RNA) where: Base-Base interactions energy: -99.055 where: short stacking energy: -62.783 Base-Backbone interact. energy: -0.002 local terms energy: -63.674090 where: bonds (distance) C4'-P energy: -11.147 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -14.002 flat angles P-C4'-P energy: -8.009 tors. eta vs tors. theta energy: -16.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -151.182782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.182782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.182782 (E_RNA) where: Base-Base interactions energy: -84.612 where: short stacking energy: -61.697 Base-Backbone interact. energy: -0.390 local terms energy: -66.180950 where: bonds (distance) C4'-P energy: -12.230 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -15.493 flat angles P-C4'-P energy: -9.976 tors. eta vs tors. theta energy: -14.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -147.575611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.575611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.575611 (E_RNA) where: Base-Base interactions energy: -84.979 where: short stacking energy: -52.918 Base-Backbone interact. energy: -0.155 local terms energy: -62.441643 where: bonds (distance) C4'-P energy: -13.933 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -11.897 flat angles P-C4'-P energy: -7.665 tors. eta vs tors. theta energy: -13.830 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: 3 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -140.736081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.736081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.736081 (E_RNA) where: Base-Base interactions energy: -84.766 where: short stacking energy: -50.077 Base-Backbone interact. energy: -0.473 local terms energy: -55.497225 where: bonds (distance) C4'-P energy: -14.202 bonds (distance) P-C4' energy: -12.215 flat angles C4'-P-C4' energy: -8.716 flat angles P-C4'-P energy: -7.826 tors. eta vs tors. theta energy: -12.539 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: 1 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -127.033776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.033776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.033776 (E_RNA) where: Base-Base interactions energy: -71.234 where: short stacking energy: -45.230 Base-Backbone interact. energy: -0.240 local terms energy: -55.558992 where: bonds (distance) C4'-P energy: -11.519 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -8.784 flat angles P-C4'-P energy: -11.492 tors. eta vs tors. theta energy: -10.745 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: 10 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -92.801046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.801046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.801046 (E_RNA) where: Base-Base interactions energy: -44.997 where: short stacking energy: -44.997 Base-Backbone interact. energy: 0.294 local terms energy: -48.098010 where: bonds (distance) C4'-P energy: -10.286 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -10.145 flat angles P-C4'-P energy: -7.633 tors. eta vs tors. theta energy: -6.477 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: 4 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -86.202539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.202539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.202539 (E_RNA) where: Base-Base interactions energy: -32.470 where: short stacking energy: -32.319 Base-Backbone interact. energy: -0.133 local terms energy: -53.600009 where: bonds (distance) C4'-P energy: -13.791 bonds (distance) P-C4' energy: -12.243 flat angles C4'-P-C4' energy: -13.622 flat angles P-C4'-P energy: -8.918 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: 8, replica: 2 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -83.205977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.205977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.205977 (E_RNA) where: Base-Base interactions energy: -36.572 where: short stacking energy: -29.864 Base-Backbone interact. energy: -0.214 local terms energy: -46.419652 where: bonds (distance) C4'-P energy: -11.514 bonds (distance) P-C4' energy: -12.550 flat angles C4'-P-C4' energy: -11.329 flat angles P-C4'-P energy: -10.515 tors. eta vs tors. theta energy: -0.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -86.022454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.022454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.022454 (E_RNA) where: Base-Base interactions energy: -45.521 where: short stacking energy: -29.536 Base-Backbone interact. energy: -0.273 local terms energy: -40.228510 where: bonds (distance) C4'-P energy: -12.016 bonds (distance) P-C4' energy: -14.435 flat angles C4'-P-C4' energy: -6.433 flat angles P-C4'-P energy: -6.153 tors. eta vs tors. theta energy: -1.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -84.689858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.689858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.689858 (E_RNA) where: Base-Base interactions energy: -38.973 where: short stacking energy: -38.973 Base-Backbone interact. energy: -0.015 local terms energy: -45.702089 where: bonds (distance) C4'-P energy: -10.077 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -13.012 flat angles P-C4'-P energy: -3.166 tors. eta vs tors. theta energy: -4.862 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: 8 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -142.610543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.610543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.610543 (E_RNA) where: Base-Base interactions energy: -83.028 where: short stacking energy: -50.751 Base-Backbone interact. energy: -0.306 local terms energy: -59.276212 where: bonds (distance) C4'-P energy: -15.125 bonds (distance) P-C4' energy: -12.803 flat angles C4'-P-C4' energy: -11.002 flat angles P-C4'-P energy: -8.238 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: 2, replica: 9 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -172.805895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.805895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.805895 (E_RNA) where: Base-Base interactions energy: -106.032 where: short stacking energy: -65.343 Base-Backbone interact. energy: -0.639 local terms energy: -66.134354 where: bonds (distance) C4'-P energy: -13.415 bonds (distance) P-C4' energy: -10.396 flat angles C4'-P-C4' energy: -14.801 flat angles P-C4'-P energy: -11.206 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: 3, replica: 5 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -145.860315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.860315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.860315 (E_RNA) where: Base-Base interactions energy: -89.428 where: short stacking energy: -56.163 Base-Backbone interact. energy: -0.622 local terms energy: -55.810355 where: bonds (distance) C4'-P energy: -8.053 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -13.222 flat angles P-C4'-P energy: -7.182 tors. eta vs tors. theta energy: -11.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -130.763099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.763099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.763099 (E_RNA) where: Base-Base interactions energy: -75.375 where: short stacking energy: -42.593 Base-Backbone interact. energy: -0.094 local terms energy: -55.293205 where: bonds (distance) C4'-P energy: -14.043 bonds (distance) P-C4' energy: -13.348 flat angles C4'-P-C4' energy: -10.364 flat angles P-C4'-P energy: -9.650 tors. eta vs tors. theta energy: -7.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -132.472949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.472949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.472949 (E_RNA) where: Base-Base interactions energy: -78.517 where: short stacking energy: -51.832 Base-Backbone interact. energy: -0.001 local terms energy: -53.954329 where: bonds (distance) C4'-P energy: -12.364 bonds (distance) P-C4' energy: -11.207 flat angles C4'-P-C4' energy: -12.017 flat angles P-C4'-P energy: -7.810 tors. eta vs tors. theta energy: -10.556 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: 4 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -94.925669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.925669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.925669 (E_RNA) where: Base-Base interactions energy: -45.938 where: short stacking energy: -39.274 Base-Backbone interact. energy: -0.012 local terms energy: -48.975477 where: bonds (distance) C4'-P energy: -10.688 bonds (distance) P-C4' energy: -11.129 flat angles C4'-P-C4' energy: -14.090 flat angles P-C4'-P energy: -9.221 tors. eta vs tors. theta energy: -3.847 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: 10 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -90.342918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.342918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.342918 (E_RNA) where: Base-Base interactions energy: -40.135 where: short stacking energy: -37.432 Base-Backbone interact. energy: -0.339 local terms energy: -49.868673 where: bonds (distance) C4'-P energy: -10.923 bonds (distance) P-C4' energy: -11.277 flat angles C4'-P-C4' energy: -13.133 flat angles P-C4'-P energy: -5.901 tors. eta vs tors. theta energy: -8.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -106.305325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.305325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.305325 (E_RNA) where: Base-Base interactions energy: -58.379 where: short stacking energy: -43.006 Base-Backbone interact. energy: -0.009 local terms energy: -47.917596 where: bonds (distance) C4'-P energy: -12.603 bonds (distance) P-C4' energy: -10.630 flat angles C4'-P-C4' energy: -13.144 flat angles P-C4'-P energy: -7.176 tors. eta vs tors. theta energy: -4.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -86.432936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.432936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.432936 (E_RNA) where: Base-Base interactions energy: -34.388 where: short stacking energy: -34.003 Base-Backbone interact. energy: -0.085 local terms energy: -51.960136 where: bonds (distance) C4'-P energy: -14.476 bonds (distance) P-C4' energy: -10.237 flat angles C4'-P-C4' energy: -8.948 flat angles P-C4'-P energy: -11.148 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: 10, replica: 6 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -84.251508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.251508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.251508 (E_RNA) where: Base-Base interactions energy: -43.262 where: short stacking energy: -42.373 Base-Backbone interact. energy: -0.001 local terms energy: -40.988680 where: bonds (distance) C4'-P energy: -12.662 bonds (distance) P-C4' energy: -7.512 flat angles C4'-P-C4' energy: -9.182 flat angles P-C4'-P energy: -5.057 tors. eta vs tors. theta energy: -6.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -166.211971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.211971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.211971 (E_RNA) where: Base-Base interactions energy: -101.590 where: short stacking energy: -63.274 Base-Backbone interact. energy: -0.005 local terms energy: -64.617748 where: bonds (distance) C4'-P energy: -14.529 bonds (distance) P-C4' energy: -13.425 flat angles C4'-P-C4' energy: -12.334 flat angles P-C4'-P energy: -9.176 tors. eta vs tors. theta energy: -15.153 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: 2, replica: 8 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -160.476337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.476337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.476337 (E_RNA) where: Base-Base interactions energy: -95.394 where: short stacking energy: -64.716 Base-Backbone interact. energy: -0.001 local terms energy: -65.081210 where: bonds (distance) C4'-P energy: -15.605 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -12.149 flat angles P-C4'-P energy: -6.853 tors. eta vs tors. theta energy: -15.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -155.064462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.064462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.064462 (E_RNA) where: Base-Base interactions energy: -96.425 where: short stacking energy: -56.857 Base-Backbone interact. energy: -0.017 local terms energy: -58.621927 where: bonds (distance) C4'-P energy: -13.614 bonds (distance) P-C4' energy: -12.860 flat angles C4'-P-C4' energy: -13.784 flat angles P-C4'-P energy: -8.198 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: 4, replica: 5 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -157.331049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.331049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.331049 (E_RNA) where: Base-Base interactions energy: -90.453 where: short stacking energy: -66.159 Base-Backbone interact. energy: -0.058 local terms energy: -66.820482 where: bonds (distance) C4'-P energy: -14.884 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -16.129 flat angles P-C4'-P energy: -8.403 tors. eta vs tors. theta energy: -12.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -134.081558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.081558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.081558 (E_RNA) where: Base-Base interactions energy: -76.334 where: short stacking energy: -46.879 Base-Backbone interact. energy: -0.003 local terms energy: -57.743961 where: bonds (distance) C4'-P energy: -11.750 bonds (distance) P-C4' energy: -13.160 flat angles C4'-P-C4' energy: -12.710 flat angles P-C4'-P energy: -9.814 tors. eta vs tors. theta energy: -10.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -89.298013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.298013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.298013 (E_RNA) where: Base-Base interactions energy: -42.090 where: short stacking energy: -42.090 Base-Backbone interact. energy: -0.135 local terms energy: -47.072903 where: bonds (distance) C4'-P energy: -12.380 bonds (distance) P-C4' energy: -13.292 flat angles C4'-P-C4' energy: -9.334 flat angles P-C4'-P energy: -6.400 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: 7, replica: 10 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -93.675657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.675657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.675657 (E_RNA) where: Base-Base interactions energy: -44.324 where: short stacking energy: -37.929 Base-Backbone interact. energy: -0.022 local terms energy: -49.330254 where: bonds (distance) C4'-P energy: -8.388 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -9.573 flat angles P-C4'-P energy: -9.433 tors. eta vs tors. theta energy: -8.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -82.778472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.778472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.778472 (E_RNA) where: Base-Base interactions energy: -35.572 where: short stacking energy: -31.158 Base-Backbone interact. energy: -1.617 local terms energy: -45.589662 where: bonds (distance) C4'-P energy: -13.241 bonds (distance) P-C4' energy: -9.385 flat angles C4'-P-C4' energy: -10.637 flat angles P-C4'-P energy: -7.963 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: 9, replica: 6 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -75.949949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.949949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.949949 (E_RNA) where: Base-Base interactions energy: -33.898 where: short stacking energy: -24.784 Base-Backbone interact. energy: -0.191 local terms energy: -41.860893 where: bonds (distance) C4'-P energy: -12.376 bonds (distance) P-C4' energy: -11.241 flat angles C4'-P-C4' energy: -8.878 flat angles P-C4'-P energy: -6.032 tors. eta vs tors. theta energy: -3.334 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: 2 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -80.941415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.941415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.941415 (E_RNA) where: Base-Base interactions energy: -34.267 where: short stacking energy: -34.267 Base-Backbone interact. energy: -0.037 local terms energy: -46.637535 where: bonds (distance) C4'-P energy: -13.859 bonds (distance) P-C4' energy: -13.333 flat angles C4'-P-C4' energy: -10.074 flat angles P-C4'-P energy: -7.220 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: 9 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -173.771836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.771836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.771836 (E_RNA) where: Base-Base interactions energy: -110.286 where: short stacking energy: -65.585 Base-Backbone interact. energy: -0.138 local terms energy: -63.347998 where: bonds (distance) C4'-P energy: -9.735 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -11.789 flat angles P-C4'-P energy: -8.301 tors. eta vs tors. theta energy: -18.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -170.181017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.181017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.181017 (E_RNA) where: Base-Base interactions energy: -106.606 where: short stacking energy: -66.872 Base-Backbone interact. energy: -0.012 local terms energy: -63.563457 where: bonds (distance) C4'-P energy: -10.691 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -13.841 flat angles P-C4'-P energy: -11.029 tors. eta vs tors. theta energy: -13.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -138.576102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.576102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.576102 (E_RNA) where: Base-Base interactions energy: -79.607 where: short stacking energy: -45.811 Base-Backbone interact. energy: -1.025 local terms energy: -57.944432 where: bonds (distance) C4'-P energy: -11.837 bonds (distance) P-C4' energy: -12.936 flat angles C4'-P-C4' energy: -10.675 flat angles P-C4'-P energy: -11.497 tors. eta vs tors. theta energy: -10.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -142.354229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.354229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.354229 (E_RNA) where: Base-Base interactions energy: -86.153 where: short stacking energy: -61.914 Base-Backbone interact. energy: 0.287 local terms energy: -56.488292 where: bonds (distance) C4'-P energy: -11.748 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -13.730 flat angles P-C4'-P energy: -4.067 tors. eta vs tors. theta energy: -12.709 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: 3 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -139.690999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.690999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.690999 (E_RNA) where: Base-Base interactions energy: -84.719 where: short stacking energy: -54.593 Base-Backbone interact. energy: -0.012 local terms energy: -54.959605 where: bonds (distance) C4'-P energy: -13.319 bonds (distance) P-C4' energy: -9.718 flat angles C4'-P-C4' energy: -13.445 flat angles P-C4'-P energy: -7.088 tors. eta vs tors. theta energy: -11.388 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: 10 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -112.244869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.244869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.244869 (E_RNA) where: Base-Base interactions energy: -61.679 where: short stacking energy: -45.688 Base-Backbone interact. energy: -0.023 local terms energy: -50.543595 where: bonds (distance) C4'-P energy: -13.651 bonds (distance) P-C4' energy: -10.944 flat angles C4'-P-C4' energy: -11.335 flat angles P-C4'-P energy: -7.498 tors. eta vs tors. theta energy: -7.115 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: 4 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -99.392062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.392062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.392062 (E_RNA) where: Base-Base interactions energy: -54.756 where: short stacking energy: -54.756 Base-Backbone interact. energy: -0.002 local terms energy: -44.633583 where: bonds (distance) C4'-P energy: -8.485 bonds (distance) P-C4' energy: -12.631 flat angles C4'-P-C4' energy: -7.729 flat angles P-C4'-P energy: -7.683 tors. eta vs tors. theta energy: -8.106 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: 6 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -79.246272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.246272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.246272 (E_RNA) where: Base-Base interactions energy: -31.979 where: short stacking energy: -31.992 Base-Backbone interact. energy: -0.072 local terms energy: -47.194712 where: bonds (distance) C4'-P energy: -10.719 bonds (distance) P-C4' energy: -13.392 flat angles C4'-P-C4' energy: -11.597 flat angles P-C4'-P energy: -6.473 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: 9, replica: 7 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -79.770783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.770783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.770783 (E_RNA) where: Base-Base interactions energy: -32.860 where: short stacking energy: -32.860 Base-Backbone interact. energy: -0.031 local terms energy: -46.879350 where: bonds (distance) C4'-P energy: -8.543 bonds (distance) P-C4' energy: -12.876 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -9.950 tors. eta vs tors. theta energy: -9.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -65.087000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.087000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.087000 (E_RNA) where: Base-Base interactions energy: -30.199 where: short stacking energy: -30.199 Base-Backbone interact. energy: 0.365 local terms energy: -35.253890 where: bonds (distance) C4'-P energy: -8.401 bonds (distance) P-C4' energy: -12.117 flat angles C4'-P-C4' energy: -10.479 flat angles P-C4'-P energy: -3.849 tors. eta vs tors. theta energy: -0.408 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: 1 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -158.910264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.910264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.910264 (E_RNA) where: Base-Base interactions energy: -102.489 where: short stacking energy: -59.602 Base-Backbone interact. energy: -0.718 local terms energy: -55.704038 where: bonds (distance) C4'-P energy: -10.185 bonds (distance) P-C4' energy: -15.348 flat angles C4'-P-C4' energy: -11.242 flat angles P-C4'-P energy: -9.213 tors. eta vs tors. theta energy: -9.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -161.892170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.892170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.892170 (E_RNA) where: Base-Base interactions energy: -94.454 where: short stacking energy: -61.720 Base-Backbone interact. energy: -0.003 local terms energy: -67.435100 where: bonds (distance) C4'-P energy: -15.328 bonds (distance) P-C4' energy: -15.476 flat angles C4'-P-C4' energy: -13.543 flat angles P-C4'-P energy: -8.611 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: 84 Temperature: 1.000000 Total energy: -152.615974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.615974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.615974 (E_RNA) where: Base-Base interactions energy: -92.335 where: short stacking energy: -60.139 Base-Backbone interact. energy: -0.000 local terms energy: -60.280903 where: bonds (distance) C4'-P energy: -13.303 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -12.547 flat angles P-C4'-P energy: -5.649 tors. eta vs tors. theta energy: -13.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -130.038504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.038504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.038504 (E_RNA) where: Base-Base interactions energy: -73.806 where: short stacking energy: -49.034 Base-Backbone interact. energy: -0.580 local terms energy: -55.652502 where: bonds (distance) C4'-P energy: -9.769 bonds (distance) P-C4' energy: -14.649 flat angles C4'-P-C4' energy: -12.134 flat angles P-C4'-P energy: -10.219 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: 84 Temperature: 1.100000 Total energy: -113.735873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.735873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.735873 (E_RNA) where: Base-Base interactions energy: -59.500 where: short stacking energy: -39.898 Base-Backbone interact. energy: -0.001 local terms energy: -54.234636 where: bonds (distance) C4'-P energy: -11.991 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -11.258 flat angles P-C4'-P energy: -6.434 tors. eta vs tors. theta energy: -9.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -117.659439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.659439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.659439 (E_RNA) where: Base-Base interactions energy: -67.673 where: short stacking energy: -47.255 Base-Backbone interact. energy: -0.049 local terms energy: -49.937934 where: bonds (distance) C4'-P energy: -10.210 bonds (distance) P-C4' energy: -10.326 flat angles C4'-P-C4' energy: -12.253 flat angles P-C4'-P energy: -7.729 tors. eta vs tors. theta energy: -9.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -86.223364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.223364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.223364 (E_RNA) where: Base-Base interactions energy: -40.954 where: short stacking energy: -40.954 Base-Backbone interact. energy: -0.255 local terms energy: -45.013470 where: bonds (distance) C4'-P energy: -7.872 bonds (distance) P-C4' energy: -10.617 flat angles C4'-P-C4' energy: -11.500 flat angles P-C4'-P energy: -8.922 tors. eta vs tors. theta energy: -6.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -82.125872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.125872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.125872 (E_RNA) where: Base-Base interactions energy: -28.418 where: short stacking energy: -25.862 Base-Backbone interact. energy: -0.303 local terms energy: -53.404669 where: bonds (distance) C4'-P energy: -12.202 bonds (distance) P-C4' energy: -10.357 flat angles C4'-P-C4' energy: -14.411 flat angles P-C4'-P energy: -13.559 tors. eta vs tors. theta energy: -2.875 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: 2 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -84.834791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.834791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.834791 (E_RNA) where: Base-Base interactions energy: -43.286 where: short stacking energy: -32.514 Base-Backbone interact. energy: 0.338 local terms energy: -41.886806 where: bonds (distance) C4'-P energy: -13.511 bonds (distance) P-C4' energy: -11.798 flat angles C4'-P-C4' energy: -7.387 flat angles P-C4'-P energy: -1.867 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: 10, replica: 7 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -82.911823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.911823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.911823 (E_RNA) where: Base-Base interactions energy: -37.802 where: short stacking energy: -37.802 Base-Backbone interact. energy: -0.000 local terms energy: -45.109555 where: bonds (distance) C4'-P energy: -10.696 bonds (distance) P-C4' energy: -16.489 flat angles C4'-P-C4' energy: -9.792 flat angles P-C4'-P energy: -3.057 tors. eta vs tors. theta energy: -5.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -158.268055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.268055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.268055 (E_RNA) where: Base-Base interactions energy: -94.013 where: short stacking energy: -66.234 Base-Backbone interact. energy: -0.010 local terms energy: -64.245553 where: bonds (distance) C4'-P energy: -11.872 bonds (distance) P-C4' energy: -12.411 flat angles C4'-P-C4' energy: -14.036 flat angles P-C4'-P energy: -11.048 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: 9 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -163.918485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.918485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.918485 (E_RNA) where: Base-Base interactions energy: -100.228 where: short stacking energy: -58.906 Base-Backbone interact. energy: -0.004 local terms energy: -63.686195 where: bonds (distance) C4'-P energy: -13.481 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -15.451 flat angles P-C4'-P energy: -7.839 tors. eta vs tors. theta energy: -13.858 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: 5 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -151.058898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.058898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.058898 (E_RNA) where: Base-Base interactions energy: -95.042 where: short stacking energy: -62.121 Base-Backbone interact. energy: -0.053 local terms energy: -55.963667 where: bonds (distance) C4'-P energy: -8.783 bonds (distance) P-C4' energy: -9.694 flat angles C4'-P-C4' energy: -14.628 flat angles P-C4'-P energy: -9.632 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: 4, replica: 10 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -112.608333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.608333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.608333 (E_RNA) where: Base-Base interactions energy: -67.616 where: short stacking energy: -42.899 Base-Backbone interact. energy: -0.114 local terms energy: -44.878512 where: bonds (distance) C4'-P energy: -12.975 bonds (distance) P-C4' energy: -13.565 flat angles C4'-P-C4' energy: -8.208 flat angles P-C4'-P energy: -5.536 tors. eta vs tors. theta energy: -4.594 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: 8 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -129.038363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.038363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.038363 (E_RNA) where: Base-Base interactions energy: -73.837 where: short stacking energy: -47.678 Base-Backbone interact. energy: -0.108 local terms energy: -55.094068 where: bonds (distance) C4'-P energy: -11.540 bonds (distance) P-C4' energy: -12.968 flat angles C4'-P-C4' energy: -13.728 flat angles P-C4'-P energy: -6.650 tors. eta vs tors. theta energy: -10.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -126.644610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.644610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.644610 (E_RNA) where: Base-Base interactions energy: -72.151 where: short stacking energy: -46.198 Base-Backbone interact. energy: -0.025 local terms energy: -54.468809 where: bonds (distance) C4'-P energy: -10.890 bonds (distance) P-C4' energy: -14.255 flat angles C4'-P-C4' energy: -11.823 flat angles P-C4'-P energy: -8.452 tors. eta vs tors. theta energy: -9.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -88.081931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.081931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.081931 (E_RNA) where: Base-Base interactions energy: -37.401 where: short stacking energy: -37.401 Base-Backbone interact. energy: -0.041 local terms energy: -50.639488 where: bonds (distance) C4'-P energy: -10.469 bonds (distance) P-C4' energy: -13.249 flat angles C4'-P-C4' energy: -14.965 flat angles P-C4'-P energy: -7.336 tors. eta vs tors. theta energy: -4.619 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: 4 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -79.024708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.024708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.024708 (E_RNA) where: Base-Base interactions energy: -31.839 where: short stacking energy: -29.031 Base-Backbone interact. energy: -0.441 local terms energy: -46.744076 where: bonds (distance) C4'-P energy: -11.615 bonds (distance) P-C4' energy: -12.042 flat angles C4'-P-C4' energy: -9.520 flat angles P-C4'-P energy: -11.146 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: 9, replica: 2 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -85.006320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.006320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.006320 (E_RNA) where: Base-Base interactions energy: -36.149 where: short stacking energy: -36.149 Base-Backbone interact. energy: -0.636 local terms energy: -48.221355 where: bonds (distance) C4'-P energy: -14.281 bonds (distance) P-C4' energy: -12.798 flat angles C4'-P-C4' energy: -11.590 flat angles P-C4'-P energy: -5.180 tors. eta vs tors. theta energy: -4.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -70.221678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.221678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.221678 (E_RNA) where: Base-Base interactions energy: -20.443 where: short stacking energy: -19.564 Base-Backbone interact. energy: -0.059 local terms energy: -49.719392 where: bonds (distance) C4'-P energy: -12.178 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -12.519 flat angles P-C4'-P energy: -6.169 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: 1, replica: 9 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -152.130364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.130364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.130364 (E_RNA) where: Base-Base interactions energy: -89.959 where: short stacking energy: -57.966 Base-Backbone interact. energy: -0.167 local terms energy: -62.004139 where: bonds (distance) C4'-P energy: -11.818 bonds (distance) P-C4' energy: -15.795 flat angles C4'-P-C4' energy: -13.795 flat angles P-C4'-P energy: -8.459 tors. eta vs tors. theta energy: -12.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -168.576248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.576248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.576248 (E_RNA) where: Base-Base interactions energy: -104.354 where: short stacking energy: -67.964 Base-Backbone interact. energy: -0.000 local terms energy: -64.222127 where: bonds (distance) C4'-P energy: -11.415 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -13.410 flat angles P-C4'-P energy: -9.923 tors. eta vs tors. theta energy: -15.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -142.326323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.326323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.326323 (E_RNA) where: Base-Base interactions energy: -85.558 where: short stacking energy: -47.337 Base-Backbone interact. energy: -0.018 local terms energy: -56.749750 where: bonds (distance) C4'-P energy: -13.295 bonds (distance) P-C4' energy: -12.383 flat angles C4'-P-C4' energy: -11.976 flat angles P-C4'-P energy: -9.121 tors. eta vs tors. theta energy: -9.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -100.538633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.538633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.538633 (E_RNA) where: Base-Base interactions energy: -50.246 where: short stacking energy: -45.678 Base-Backbone interact. energy: -0.050 local terms energy: -50.242833 where: bonds (distance) C4'-P energy: -11.229 bonds (distance) P-C4' energy: -11.200 flat angles C4'-P-C4' energy: -10.825 flat angles P-C4'-P energy: -9.034 tors. eta vs tors. theta energy: -7.954 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: 8 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -131.974147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.974147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.974147 (E_RNA) where: Base-Base interactions energy: -76.302 where: short stacking energy: -46.809 Base-Backbone interact. energy: -0.004 local terms energy: -55.668384 where: bonds (distance) C4'-P energy: -9.118 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -13.632 flat angles P-C4'-P energy: -7.173 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: 6, replica: 3 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -131.402188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.402188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.402188 (E_RNA) where: Base-Base interactions energy: -79.044 where: short stacking energy: -43.093 Base-Backbone interact. energy: -0.272 local terms energy: -52.085715 where: bonds (distance) C4'-P energy: -8.357 bonds (distance) P-C4' energy: -12.709 flat angles C4'-P-C4' energy: -12.217 flat angles P-C4'-P energy: -9.799 tors. eta vs tors. theta energy: -9.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -88.251153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.251153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.251153 (E_RNA) where: Base-Base interactions energy: -34.303 where: short stacking energy: -34.303 Base-Backbone interact. energy: -0.075 local terms energy: -53.872303 where: bonds (distance) C4'-P energy: -11.581 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -10.846 flat angles P-C4'-P energy: -11.083 tors. eta vs tors. theta energy: -6.573 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: 6 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -99.255122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.255122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.255122 (E_RNA) where: Base-Base interactions energy: -46.065 where: short stacking energy: -46.065 Base-Backbone interact. energy: -0.003 local terms energy: -53.187099 where: bonds (distance) C4'-P energy: -7.259 bonds (distance) P-C4' energy: -12.867 flat angles C4'-P-C4' energy: -13.712 flat angles P-C4'-P energy: -7.268 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: 9, replica: 7 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -81.179745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.179745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.179745 (E_RNA) where: Base-Base interactions energy: -38.426 where: short stacking energy: -36.230 Base-Backbone interact. energy: -0.674 local terms energy: -42.079808 where: bonds (distance) C4'-P energy: -11.085 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -14.493 flat angles P-C4'-P energy: -7.085 tors. eta vs tors. theta energy: -0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -78.550848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.550848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.550848 (E_RNA) where: Base-Base interactions energy: -34.273 where: short stacking energy: -34.273 Base-Backbone interact. energy: -0.114 local terms energy: -44.164467 where: bonds (distance) C4'-P energy: -11.226 bonds (distance) P-C4' energy: -11.042 flat angles C4'-P-C4' energy: -11.535 flat angles P-C4'-P energy: -4.958 tors. eta vs tors. theta energy: -5.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -162.997522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.997522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.997522 (E_RNA) where: Base-Base interactions energy: -99.770 where: short stacking energy: -67.584 Base-Backbone interact. energy: -0.001 local terms energy: -63.226315 where: bonds (distance) C4'-P energy: -12.906 bonds (distance) P-C4' energy: -11.717 flat angles C4'-P-C4' energy: -12.849 flat angles P-C4'-P energy: -10.866 tors. eta vs tors. theta energy: -14.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -156.674848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.674848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.674848 (E_RNA) where: Base-Base interactions energy: -92.645 where: short stacking energy: -57.460 Base-Backbone interact. energy: -0.003 local terms energy: -64.026618 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -11.831 flat angles P-C4'-P energy: -9.442 tors. eta vs tors. theta energy: -12.996 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: 5 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -145.304655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.304655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.304655 (E_RNA) where: Base-Base interactions energy: -86.874 where: short stacking energy: -60.812 Base-Backbone interact. energy: -0.025 local terms energy: -58.405076 where: bonds (distance) C4'-P energy: -12.115 bonds (distance) P-C4' energy: -13.909 flat angles C4'-P-C4' energy: -11.517 flat angles P-C4'-P energy: -9.273 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: 4, replica: 8 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -146.846081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.846081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.846081 (E_RNA) where: Base-Base interactions energy: -88.695 where: short stacking energy: -53.834 Base-Backbone interact. energy: -0.006 local terms energy: -58.145218 where: bonds (distance) C4'-P energy: -11.212 bonds (distance) P-C4' energy: -13.060 flat angles C4'-P-C4' energy: -13.830 flat angles P-C4'-P energy: -8.290 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: 10 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -104.487977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.487977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.487977 (E_RNA) where: Base-Base interactions energy: -46.947 where: short stacking energy: -43.309 Base-Backbone interact. energy: -0.183 local terms energy: -57.357589 where: bonds (distance) C4'-P energy: -13.526 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -13.953 flat angles P-C4'-P energy: -8.329 tors. eta vs tors. theta energy: -7.305 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: 3 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -125.514252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.514252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.514252 (E_RNA) where: Base-Base interactions energy: -66.153 where: short stacking energy: -40.554 Base-Backbone interact. energy: -0.955 local terms energy: -58.405989 where: bonds (distance) C4'-P energy: -11.379 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -14.016 flat angles P-C4'-P energy: -6.437 tors. eta vs tors. theta energy: -10.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -85.502850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.502850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.502850 (E_RNA) where: Base-Base interactions energy: -36.798 where: short stacking energy: -36.798 Base-Backbone interact. energy: -0.491 local terms energy: -48.213379 where: bonds (distance) C4'-P energy: -13.883 bonds (distance) P-C4' energy: -11.887 flat angles C4'-P-C4' energy: -7.778 flat angles P-C4'-P energy: -9.191 tors. eta vs tors. theta energy: -5.474 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: 87 Temperature: 1.250000 Total energy: -73.727976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.727976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.727976 (E_RNA) where: Base-Base interactions energy: -33.501 where: short stacking energy: -29.412 Base-Backbone interact. energy: -0.156 local terms energy: -40.070884 where: bonds (distance) C4'-P energy: -12.185 bonds (distance) P-C4' energy: -11.615 flat angles C4'-P-C4' energy: -12.199 flat angles P-C4'-P energy: -4.444 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: 6 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -87.967795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.967795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.967795 (E_RNA) where: Base-Base interactions energy: -40.874 where: short stacking energy: -40.874 Base-Backbone interact. energy: 2.386 local terms energy: -49.479826 where: bonds (distance) C4'-P energy: -12.993 bonds (distance) P-C4' energy: -14.382 flat angles C4'-P-C4' energy: -11.377 flat angles P-C4'-P energy: -6.684 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: 10, replica: 2 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -74.276127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.276127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.276127 (E_RNA) where: Base-Base interactions energy: -21.959 where: short stacking energy: -19.826 Base-Backbone interact. energy: -0.389 local terms energy: -51.928283 where: bonds (distance) C4'-P energy: -12.207 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -11.895 flat angles P-C4'-P energy: -9.292 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: 1 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -169.212862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.212862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.212862 (E_RNA) where: Base-Base interactions energy: -100.815 where: short stacking energy: -59.252 Base-Backbone interact. energy: -0.077 local terms energy: -68.320510 where: bonds (distance) C4'-P energy: -13.962 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -13.708 flat angles P-C4'-P energy: -10.014 tors. eta vs tors. theta energy: -17.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -162.213844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.213844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.213844 (E_RNA) where: Base-Base interactions energy: -96.325 where: short stacking energy: -64.259 Base-Backbone interact. energy: -0.004 local terms energy: -65.885136 where: bonds (distance) C4'-P energy: -12.898 bonds (distance) P-C4' energy: -14.642 flat angles C4'-P-C4' energy: -15.003 flat angles P-C4'-P energy: -7.244 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: 8 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -132.882716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.882716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.882716 (E_RNA) where: Base-Base interactions energy: -82.241 where: short stacking energy: -52.314 Base-Backbone interact. energy: 1.093 local terms energy: -51.734542 where: bonds (distance) C4'-P energy: -11.549 bonds (distance) P-C4' energy: -10.840 flat angles C4'-P-C4' energy: -9.412 flat angles P-C4'-P energy: -9.620 tors. eta vs tors. theta energy: -10.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -143.576092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.576092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.576092 (E_RNA) where: Base-Base interactions energy: -91.732 where: short stacking energy: -61.334 Base-Backbone interact. energy: 0.254 local terms energy: -52.098247 where: bonds (distance) C4'-P energy: -3.678 bonds (distance) P-C4' energy: -13.800 flat angles C4'-P-C4' energy: -12.191 flat angles P-C4'-P energy: -11.532 tors. eta vs tors. theta energy: -10.896 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: 3 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -135.189222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.189222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.189222 (E_RNA) where: Base-Base interactions energy: -82.240 where: short stacking energy: -45.856 Base-Backbone interact. energy: 0.750 local terms energy: -53.698773 where: bonds (distance) C4'-P energy: -11.677 bonds (distance) P-C4' energy: -11.162 flat angles C4'-P-C4' energy: -12.518 flat angles P-C4'-P energy: -11.126 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: 6, replica: 10 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -94.682352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.682352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.682352 (E_RNA) where: Base-Base interactions energy: -45.006 where: short stacking energy: -45.006 Base-Backbone interact. energy: -0.028 local terms energy: -49.648577 where: bonds (distance) C4'-P energy: -10.630 bonds (distance) P-C4' energy: -12.944 flat angles C4'-P-C4' energy: -11.308 flat angles P-C4'-P energy: -8.011 tors. eta vs tors. theta energy: -6.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -91.178879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.178879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.178879 (E_RNA) where: Base-Base interactions energy: -43.618 where: short stacking energy: -39.215 Base-Backbone interact. energy: -0.080 local terms energy: -47.480008 where: bonds (distance) C4'-P energy: -13.064 bonds (distance) P-C4' energy: -9.409 flat angles C4'-P-C4' energy: -13.535 flat angles P-C4'-P energy: -4.984 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: 8, replica: 4 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -83.334174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.334174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.334174 (E_RNA) where: Base-Base interactions energy: -35.812 where: short stacking energy: -35.041 Base-Backbone interact. energy: -0.028 local terms energy: -47.494049 where: bonds (distance) C4'-P energy: -15.630 bonds (distance) P-C4' energy: -9.421 flat angles C4'-P-C4' energy: -12.063 flat angles P-C4'-P energy: -5.358 tors. eta vs tors. theta energy: -5.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -85.546545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.546545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.546545 (E_RNA) where: Base-Base interactions energy: -40.988 where: short stacking energy: -26.768 Base-Backbone interact. energy: -0.094 local terms energy: -44.464764 where: bonds (distance) C4'-P energy: -6.928 bonds (distance) P-C4' energy: -7.895 flat angles C4'-P-C4' energy: -13.871 flat angles P-C4'-P energy: -8.986 tors. eta vs tors. theta energy: -6.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -75.248569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.248569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.248569 (E_RNA) where: Base-Base interactions energy: -30.377 where: short stacking energy: -30.377 Base-Backbone interact. energy: -0.160 local terms energy: -44.711672 where: bonds (distance) C4'-P energy: -12.487 bonds (distance) P-C4' energy: -11.330 flat angles C4'-P-C4' energy: -11.506 flat angles P-C4'-P energy: -6.567 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: 1, replica: 1 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -158.822362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.822362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.822362 (E_RNA) where: Base-Base interactions energy: -95.043 where: short stacking energy: -63.118 Base-Backbone interact. energy: -0.399 local terms energy: -63.379660 where: bonds (distance) C4'-P energy: -8.324 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -16.495 flat angles P-C4'-P energy: -7.029 tors. eta vs tors. theta energy: -17.570 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: 8 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -142.696522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.696522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.696522 (E_RNA) where: Base-Base interactions energy: -84.244 where: short stacking energy: -54.220 Base-Backbone interact. energy: -0.129 local terms energy: -58.323440 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -13.468 flat angles C4'-P-C4' energy: -13.547 flat angles P-C4'-P energy: -10.598 tors. eta vs tors. theta energy: -7.862 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: 3, replica: 9 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -144.412948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.412948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.412948 (E_RNA) where: Base-Base interactions energy: -82.725 where: short stacking energy: -57.525 Base-Backbone interact. energy: 0.013 local terms energy: -61.701240 where: bonds (distance) C4'-P energy: -11.784 bonds (distance) P-C4' energy: -12.802 flat angles C4'-P-C4' energy: -11.477 flat angles P-C4'-P energy: -11.103 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: 4, replica: 5 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -137.139071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.139071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.139071 (E_RNA) where: Base-Base interactions energy: -86.427 where: short stacking energy: -44.521 Base-Backbone interact. energy: -1.228 local terms energy: -49.484689 where: bonds (distance) C4'-P energy: -8.539 bonds (distance) P-C4' energy: -8.921 flat angles C4'-P-C4' energy: -12.226 flat angles P-C4'-P energy: -11.143 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: 5, replica: 3 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -121.701587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.701587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.701587 (E_RNA) where: Base-Base interactions energy: -78.101 where: short stacking energy: -41.564 Base-Backbone interact. energy: -0.166 local terms energy: -43.434821 where: bonds (distance) C4'-P energy: -5.764 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -11.857 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -5.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -98.857594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.857594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.857594 (E_RNA) where: Base-Base interactions energy: -53.689 where: short stacking energy: -39.434 Base-Backbone interact. energy: 1.743 local terms energy: -46.911136 where: bonds (distance) C4'-P energy: -10.824 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -12.837 flat angles P-C4'-P energy: -2.988 tors. eta vs tors. theta energy: -6.733 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: 7 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -84.547587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.547587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.547587 (E_RNA) where: Base-Base interactions energy: -31.970 where: short stacking energy: -31.447 Base-Backbone interact. energy: -0.490 local terms energy: -52.088081 where: bonds (distance) C4'-P energy: -9.115 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -12.420 flat angles P-C4'-P energy: -10.613 tors. eta vs tors. theta energy: -4.443 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: 8, replica: 2 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -77.639419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.639419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.639419 (E_RNA) where: Base-Base interactions energy: -36.047 where: short stacking energy: -36.047 Base-Backbone interact. energy: -0.910 local terms energy: -40.682914 where: bonds (distance) C4'-P energy: -7.486 bonds (distance) P-C4' energy: -9.942 flat angles C4'-P-C4' energy: -11.915 flat angles P-C4'-P energy: -7.001 tors. eta vs tors. theta energy: -4.339 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: 4 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -95.940481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.940481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.940481 (E_RNA) where: Base-Base interactions energy: -47.205 where: short stacking energy: -47.205 Base-Backbone interact. energy: 1.183 local terms energy: -49.918476 where: bonds (distance) C4'-P energy: -10.766 bonds (distance) P-C4' energy: -7.796 flat angles C4'-P-C4' energy: -12.902 flat angles P-C4'-P energy: -9.388 tors. eta vs tors. theta energy: -9.067 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: 6 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -73.262916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.262916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.262916 (E_RNA) where: Base-Base interactions energy: -24.780 where: short stacking energy: -24.780 Base-Backbone interact. energy: -0.008 local terms energy: -48.474679 where: bonds (distance) C4'-P energy: -9.815 bonds (distance) P-C4' energy: -13.183 flat angles C4'-P-C4' energy: -12.514 flat angles P-C4'-P energy: -5.532 tors. eta vs tors. theta energy: -7.431 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: 1 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -163.115538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.115538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.115538 (E_RNA) where: Base-Base interactions energy: -97.514 where: short stacking energy: -65.794 Base-Backbone interact. energy: -0.001 local terms energy: -65.600743 where: bonds (distance) C4'-P energy: -12.083 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -12.209 flat angles P-C4'-P energy: -9.730 tors. eta vs tors. theta energy: -16.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -153.302314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.302314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.302314 (E_RNA) where: Base-Base interactions energy: -94.344 where: short stacking energy: -65.145 Base-Backbone interact. energy: -0.706 local terms energy: -58.252511 where: bonds (distance) C4'-P energy: -11.155 bonds (distance) P-C4' energy: -13.556 flat angles C4'-P-C4' energy: -9.414 flat angles P-C4'-P energy: -10.909 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: 9 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -141.610471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.610471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.610471 (E_RNA) where: Base-Base interactions energy: -86.170 where: short stacking energy: -52.517 Base-Backbone interact. energy: -0.005 local terms energy: -55.436381 where: bonds (distance) C4'-P energy: -9.218 bonds (distance) P-C4' energy: -11.564 flat angles C4'-P-C4' energy: -14.774 flat angles P-C4'-P energy: -6.163 tors. eta vs tors. theta energy: -13.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -120.436404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.436404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.436404 (E_RNA) where: Base-Base interactions energy: -73.632 where: short stacking energy: -41.149 Base-Backbone interact. energy: 1.649 local terms energy: -48.453357 where: bonds (distance) C4'-P energy: -7.005 bonds (distance) P-C4' energy: -14.554 flat angles C4'-P-C4' energy: -11.674 flat angles P-C4'-P energy: -6.833 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: 5, replica: 10 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -103.511622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.511622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.511622 (E_RNA) where: Base-Base interactions energy: -49.543 where: short stacking energy: -49.543 Base-Backbone interact. energy: -0.068 local terms energy: -53.901017 where: bonds (distance) C4'-P energy: -10.008 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -11.912 flat angles P-C4'-P energy: -1.142 tors. eta vs tors. theta energy: -15.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -126.122131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.122131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.122131 (E_RNA) where: Base-Base interactions energy: -73.117 where: short stacking energy: -51.610 Base-Backbone interact. energy: -0.006 local terms energy: -52.999385 where: bonds (distance) C4'-P energy: -7.237 bonds (distance) P-C4' energy: -11.371 flat angles C4'-P-C4' energy: -14.072 flat angles P-C4'-P energy: -9.863 tors. eta vs tors. theta energy: -10.456 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: 90 Temperature: 1.200000 Total energy: -79.800466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.800466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.800466 (E_RNA) where: Base-Base interactions energy: -34.808 where: short stacking energy: -34.808 Base-Backbone interact. energy: -0.014 local terms energy: -44.978881 where: bonds (distance) C4'-P energy: -8.545 bonds (distance) P-C4' energy: -12.579 flat angles C4'-P-C4' energy: -11.705 flat angles P-C4'-P energy: -6.547 tors. eta vs tors. theta energy: -5.602 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: 2 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -79.284943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.284943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.284943 (E_RNA) where: Base-Base interactions energy: -37.182 where: short stacking energy: -36.920 Base-Backbone interact. energy: -0.056 local terms energy: -42.046832 where: bonds (distance) C4'-P energy: -8.591 bonds (distance) P-C4' energy: -9.271 flat angles C4'-P-C4' energy: -12.113 flat angles P-C4'-P energy: -5.347 tors. eta vs tors. theta energy: -6.725 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: 9, replica: 6 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -83.516211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.516211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.516211 (E_RNA) where: Base-Base interactions energy: -35.860 where: short stacking energy: -35.202 Base-Backbone interact. energy: -0.002 local terms energy: -47.653856 where: bonds (distance) C4'-P energy: -7.459 bonds (distance) P-C4' energy: -13.396 flat angles C4'-P-C4' energy: -14.183 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: -3.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -76.005990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.005990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.005990 (E_RNA) where: Base-Base interactions energy: -32.291 where: short stacking energy: -32.291 Base-Backbone interact. energy: -0.040 local terms energy: -43.674244 where: bonds (distance) C4'-P energy: -12.860 bonds (distance) P-C4' energy: -10.352 flat angles C4'-P-C4' energy: -13.009 flat angles P-C4'-P energy: -4.972 tors. eta vs tors. theta energy: -2.480 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: 1 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -172.996899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.996899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.996899 (E_RNA) where: Base-Base interactions energy: -98.571 where: short stacking energy: -69.661 Base-Backbone interact. energy: -0.004 local terms energy: -74.420920 where: bonds (distance) C4'-P energy: -14.334 bonds (distance) P-C4' energy: -15.935 flat angles C4'-P-C4' energy: -15.245 flat angles P-C4'-P energy: -10.639 tors. eta vs tors. theta energy: -18.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -152.750048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.750048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.750048 (E_RNA) where: Base-Base interactions energy: -96.423 where: short stacking energy: -62.684 Base-Backbone interact. energy: -0.439 local terms energy: -55.887875 where: bonds (distance) C4'-P energy: -11.557 bonds (distance) P-C4' energy: -13.894 flat angles C4'-P-C4' energy: -8.757 flat angles P-C4'-P energy: -7.139 tors. eta vs tors. theta energy: -14.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -150.398895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.398895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.398895 (E_RNA) where: Base-Base interactions energy: -85.850 where: short stacking energy: -56.322 Base-Backbone interact. energy: -0.002 local terms energy: -64.547154 where: bonds (distance) C4'-P energy: -13.473 bonds (distance) P-C4' energy: -10.810 flat angles C4'-P-C4' energy: -13.555 flat angles P-C4'-P energy: -12.193 tors. eta vs tors. theta energy: -14.517 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: 5 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -146.199180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.199180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.199180 (E_RNA) where: Base-Base interactions energy: -86.697 where: short stacking energy: -60.623 Base-Backbone interact. energy: -0.013 local terms energy: -59.489139 where: bonds (distance) C4'-P energy: -10.348 bonds (distance) P-C4' energy: -11.890 flat angles C4'-P-C4' energy: -13.019 flat angles P-C4'-P energy: -10.085 tors. eta vs tors. theta energy: -14.147 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: 10 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -105.542031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.542031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.542031 (E_RNA) where: Base-Base interactions energy: -55.959 where: short stacking energy: -51.453 Base-Backbone interact. energy: 1.883 local terms energy: -51.466418 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -12.710 flat angles C4'-P-C4' energy: -12.450 flat angles P-C4'-P energy: -10.004 tors. eta vs tors. theta energy: -9.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -83.350169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.350169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.350169 (E_RNA) where: Base-Base interactions energy: -42.638 where: short stacking energy: -27.750 Base-Backbone interact. energy: -0.119 local terms energy: -40.593694 where: bonds (distance) C4'-P energy: -14.246 bonds (distance) P-C4' energy: -13.025 flat angles C4'-P-C4' energy: -13.375 flat angles P-C4'-P energy: -1.409 tors. eta vs tors. theta energy: 1.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -125.260014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.260014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.260014 (E_RNA) where: Base-Base interactions energy: -71.864 where: short stacking energy: -43.159 Base-Backbone interact. energy: -0.065 local terms energy: -53.330704 where: bonds (distance) C4'-P energy: -13.104 bonds (distance) P-C4' energy: -14.886 flat angles C4'-P-C4' energy: -11.475 flat angles P-C4'-P energy: -3.217 tors. eta vs tors. theta energy: -10.649 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: 6 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -77.483741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.483741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.483741 (E_RNA) where: Base-Base interactions energy: -37.032 where: short stacking energy: -34.060 Base-Backbone interact. energy: 1.356 local terms energy: -41.808395 where: bonds (distance) C4'-P energy: -9.573 bonds (distance) P-C4' energy: -5.359 flat angles C4'-P-C4' energy: -14.331 flat angles P-C4'-P energy: -8.494 tors. eta vs tors. theta energy: -4.051 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: 2 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -82.681310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.681310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.681310 (E_RNA) where: Base-Base interactions energy: -30.746 where: short stacking energy: -28.242 Base-Backbone interact. energy: -0.952 local terms energy: -50.982906 where: bonds (distance) C4'-P energy: -13.693 bonds (distance) P-C4' energy: -12.954 flat angles C4'-P-C4' energy: -10.472 flat angles P-C4'-P energy: -10.224 tors. eta vs tors. theta energy: -3.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -69.592681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.592681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.592681 (E_RNA) where: Base-Base interactions energy: -23.706 where: short stacking energy: -20.515 Base-Backbone interact. energy: -0.017 local terms energy: -45.869623 where: bonds (distance) C4'-P energy: -8.515 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -11.039 flat angles P-C4'-P energy: -4.930 tors. eta vs tors. theta energy: -7.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -164.808442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.808442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.808442 (E_RNA) where: Base-Base interactions energy: -102.579 where: short stacking energy: -66.424 Base-Backbone interact. energy: 0.091 local terms energy: -62.320681 where: bonds (distance) C4'-P energy: -15.204 bonds (distance) P-C4' energy: -11.335 flat angles C4'-P-C4' energy: -9.187 flat angles P-C4'-P energy: -10.213 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: 2, replica: 8 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -146.728658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.728658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.728658 (E_RNA) where: Base-Base interactions energy: -85.037 where: short stacking energy: -48.356 Base-Backbone interact. energy: -0.055 local terms energy: -61.636444 where: bonds (distance) C4'-P energy: -11.536 bonds (distance) P-C4' energy: -15.519 flat angles C4'-P-C4' energy: -14.658 flat angles P-C4'-P energy: -8.782 tors. eta vs tors. theta energy: -11.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -147.512988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.512988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.512988 (E_RNA) where: Base-Base interactions energy: -83.718 where: short stacking energy: -53.117 Base-Backbone interact. energy: -0.004 local terms energy: -63.791165 where: bonds (distance) C4'-P energy: -12.669 bonds (distance) P-C4' energy: -16.010 flat angles C4'-P-C4' energy: -11.918 flat angles P-C4'-P energy: -7.717 tors. eta vs tors. theta energy: -15.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -135.170198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.170198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.170198 (E_RNA) where: Base-Base interactions energy: -75.116 where: short stacking energy: -44.286 Base-Backbone interact. energy: -0.315 local terms energy: -59.738875 where: bonds (distance) C4'-P energy: -14.575 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -10.364 flat angles P-C4'-P energy: -8.794 tors. eta vs tors. theta energy: -12.720 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: 92 Temperature: 1.100000 Total energy: -136.931404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.931404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.931404 (E_RNA) where: Base-Base interactions energy: -81.223 where: short stacking energy: -47.237 Base-Backbone interact. energy: -0.559 local terms energy: -55.148912 where: bonds (distance) C4'-P energy: -11.389 bonds (distance) P-C4' energy: -10.266 flat angles C4'-P-C4' energy: -12.765 flat angles P-C4'-P energy: -7.851 tors. eta vs tors. theta energy: -12.878 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: 10 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -106.818777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.818777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.818777 (E_RNA) where: Base-Base interactions energy: -52.799 where: short stacking energy: -35.553 Base-Backbone interact. energy: -0.074 local terms energy: -53.945279 where: bonds (distance) C4'-P energy: -13.102 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -13.262 flat angles P-C4'-P energy: -5.270 tors. eta vs tors. theta energy: -7.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -120.920668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.920668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.920668 (E_RNA) where: Base-Base interactions energy: -71.615 where: short stacking energy: -44.245 Base-Backbone interact. energy: -0.027 local terms energy: -49.278727 where: bonds (distance) C4'-P energy: -12.852 bonds (distance) P-C4' energy: -11.377 flat angles C4'-P-C4' energy: -10.732 flat angles P-C4'-P energy: -8.003 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: 8, replica: 6 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -94.589993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.589993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.589993 (E_RNA) where: Base-Base interactions energy: -43.239 where: short stacking energy: -42.248 Base-Backbone interact. energy: -0.022 local terms energy: -51.329392 where: bonds (distance) C4'-P energy: -14.422 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -12.987 flat angles P-C4'-P energy: -6.300 tors. eta vs tors. theta energy: -9.367 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: 9, replica: 4 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -99.242831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.242831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.242831 (E_RNA) where: Base-Base interactions energy: -40.962 where: short stacking energy: -40.962 Base-Backbone interact. energy: -0.072 local terms energy: -58.208180 where: bonds (distance) C4'-P energy: -11.622 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -13.667 flat angles P-C4'-P energy: -7.310 tors. eta vs tors. theta energy: -12.567 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: 2 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -73.885271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.885271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.885271 (E_RNA) where: Base-Base interactions energy: -31.042 where: short stacking energy: -31.042 Base-Backbone interact. energy: -0.102 local terms energy: -42.741395 where: bonds (distance) C4'-P energy: -10.802 bonds (distance) P-C4' energy: -9.961 flat angles C4'-P-C4' energy: -11.858 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -5.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -151.825246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.825246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.825246 (E_RNA) where: Base-Base interactions energy: -95.189 where: short stacking energy: -51.678 Base-Backbone interact. energy: -0.299 local terms energy: -56.337106 where: bonds (distance) C4'-P energy: -13.882 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -10.330 flat angles P-C4'-P energy: -8.547 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: 2, replica: 8 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -140.087659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.087659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.087659 (E_RNA) where: Base-Base interactions energy: -80.198 where: short stacking energy: -54.919 Base-Backbone interact. energy: -0.631 local terms energy: -59.258340 where: bonds (distance) C4'-P energy: -12.914 bonds (distance) P-C4' energy: -12.212 flat angles C4'-P-C4' energy: -13.369 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -11.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -144.771556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.771556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.771556 (E_RNA) where: Base-Base interactions energy: -85.804 where: short stacking energy: -59.365 Base-Backbone interact. energy: -0.171 local terms energy: -58.796397 where: bonds (distance) C4'-P energy: -13.642 bonds (distance) P-C4' energy: -13.468 flat angles C4'-P-C4' energy: -12.307 flat angles P-C4'-P energy: -7.935 tors. eta vs tors. theta energy: -11.444 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: 7 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -136.597316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.597316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.597316 (E_RNA) where: Base-Base interactions energy: -82.129 where: short stacking energy: -47.788 Base-Backbone interact. energy: -0.017 local terms energy: -54.450800 where: bonds (distance) C4'-P energy: -10.119 bonds (distance) P-C4' energy: -14.155 flat angles C4'-P-C4' energy: -10.000 flat angles P-C4'-P energy: -10.551 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: 5, replica: 9 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -139.094691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.094691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.094691 (E_RNA) where: Base-Base interactions energy: -81.776 where: short stacking energy: -43.078 Base-Backbone interact. energy: -0.004 local terms energy: -57.314573 where: bonds (distance) C4'-P energy: -12.561 bonds (distance) P-C4' energy: -12.905 flat angles C4'-P-C4' energy: -11.677 flat angles P-C4'-P energy: -9.857 tors. eta vs tors. theta energy: -10.314 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: 3 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -131.398468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.398468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.398468 (E_RNA) where: Base-Base interactions energy: -80.443 where: short stacking energy: -48.975 Base-Backbone interact. energy: 1.674 local terms energy: -52.629144 where: bonds (distance) C4'-P energy: -13.998 bonds (distance) P-C4' energy: -10.908 flat angles C4'-P-C4' energy: -9.437 flat angles P-C4'-P energy: -7.607 tors. eta vs tors. theta energy: -10.680 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: 10 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -93.884990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.884990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.884990 (E_RNA) where: Base-Base interactions energy: -39.127 where: short stacking energy: -39.974 Base-Backbone interact. energy: -0.062 local terms energy: -54.696499 where: bonds (distance) C4'-P energy: -13.083 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -13.414 flat angles P-C4'-P energy: -7.254 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: 4 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -88.360978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.360978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.360978 (E_RNA) where: Base-Base interactions energy: -44.625 where: short stacking energy: -44.625 Base-Backbone interact. energy: -0.064 local terms energy: -43.672697 where: bonds (distance) C4'-P energy: -9.401 bonds (distance) P-C4' energy: -13.051 flat angles C4'-P-C4' energy: -13.006 flat angles P-C4'-P energy: -1.373 tors. eta vs tors. theta energy: -6.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -76.524247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.524247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.524247 (E_RNA) where: Base-Base interactions energy: -37.178 where: short stacking energy: -29.852 Base-Backbone interact. energy: -0.110 local terms energy: -39.236449 where: bonds (distance) C4'-P energy: -9.155 bonds (distance) P-C4' energy: -14.906 flat angles C4'-P-C4' energy: -6.223 flat angles P-C4'-P energy: -7.417 tors. eta vs tors. theta energy: -1.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -83.855831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.855831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.855831 (E_RNA) where: Base-Base interactions energy: -32.737 where: short stacking energy: -31.896 Base-Backbone interact. energy: -0.008 local terms energy: -51.110083 where: bonds (distance) C4'-P energy: -14.681 bonds (distance) P-C4' energy: -12.915 flat angles C4'-P-C4' energy: -11.705 flat angles P-C4'-P energy: -5.865 tors. eta vs tors. theta energy: -5.943 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: 1 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -162.957274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.957274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.957274 (E_RNA) where: Base-Base interactions energy: -97.073 where: short stacking energy: -58.097 Base-Backbone interact. energy: -0.217 local terms energy: -65.667321 where: bonds (distance) C4'-P energy: -14.421 bonds (distance) P-C4' energy: -14.452 flat angles C4'-P-C4' energy: -12.994 flat angles P-C4'-P energy: -9.743 tors. eta vs tors. theta energy: -14.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -151.999867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.999867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.999867 (E_RNA) where: Base-Base interactions energy: -91.508 where: short stacking energy: -60.448 Base-Backbone interact. energy: -0.093 local terms energy: -60.399244 where: bonds (distance) C4'-P energy: -14.902 bonds (distance) P-C4' energy: -10.291 flat angles C4'-P-C4' energy: -13.955 flat angles P-C4'-P energy: -10.480 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: 3, replica: 5 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -148.515743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.515743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.515743 (E_RNA) where: Base-Base interactions energy: -84.886 where: short stacking energy: -51.345 Base-Backbone interact. energy: 0.298 local terms energy: -63.927967 where: bonds (distance) C4'-P energy: -15.158 bonds (distance) P-C4' energy: -12.545 flat angles C4'-P-C4' energy: -14.842 flat angles P-C4'-P energy: -8.480 tors. eta vs tors. theta energy: -12.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -136.603989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.603989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.603989 (E_RNA) where: Base-Base interactions energy: -79.437 where: short stacking energy: -45.507 Base-Backbone interact. energy: -0.024 local terms energy: -57.142994 where: bonds (distance) C4'-P energy: -14.388 bonds (distance) P-C4' energy: -13.204 flat angles C4'-P-C4' energy: -14.283 flat angles P-C4'-P energy: -7.924 tors. eta vs tors. theta energy: -7.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -135.673084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.673084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.673084 (E_RNA) where: Base-Base interactions energy: -87.307 where: short stacking energy: -50.981 Base-Backbone interact. energy: -0.049 local terms energy: -48.317035 where: bonds (distance) C4'-P energy: -6.650 bonds (distance) P-C4' energy: -9.405 flat angles C4'-P-C4' energy: -8.766 flat angles P-C4'-P energy: -10.060 tors. eta vs tors. theta energy: -13.436 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: 6, replica: 9 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -145.397451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.397451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.397451 (E_RNA) where: Base-Base interactions energy: -85.925 where: short stacking energy: -60.744 Base-Backbone interact. energy: 1.381 local terms energy: -60.853723 where: bonds (distance) C4'-P energy: -12.078 bonds (distance) P-C4' energy: -14.649 flat angles C4'-P-C4' energy: -12.946 flat angles P-C4'-P energy: -7.509 tors. eta vs tors. theta energy: -13.671 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: 4 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -87.561214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.561214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.561214 (E_RNA) where: Base-Base interactions energy: -36.610 where: short stacking energy: -32.924 Base-Backbone interact. energy: -0.645 local terms energy: -50.306377 where: bonds (distance) C4'-P energy: -12.989 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: -10.200 tors. eta vs tors. theta energy: -5.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -97.071911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.071911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.071911 (E_RNA) where: Base-Base interactions energy: -45.222 where: short stacking energy: -42.782 Base-Backbone interact. energy: -0.113 local terms energy: -51.737000 where: bonds (distance) C4'-P energy: -8.866 bonds (distance) P-C4' energy: -11.557 flat angles C4'-P-C4' energy: -12.537 flat angles P-C4'-P energy: -7.606 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: 9, replica: 6 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -74.426541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.426541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.426541 (E_RNA) where: Base-Base interactions energy: -37.164 where: short stacking energy: -32.185 Base-Backbone interact. energy: -0.028 local terms energy: -37.234260 where: bonds (distance) C4'-P energy: -11.953 bonds (distance) P-C4' energy: -12.929 flat angles C4'-P-C4' energy: -5.403 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: -3.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -81.960637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.960637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.960637 (E_RNA) where: Base-Base interactions energy: -42.729 where: short stacking energy: -21.120 Base-Backbone interact. energy: -0.182 local terms energy: -39.049569 where: bonds (distance) C4'-P energy: -10.390 bonds (distance) P-C4' energy: -10.833 flat angles C4'-P-C4' energy: -10.766 flat angles P-C4'-P energy: -6.886 tors. eta vs tors. theta energy: -0.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -168.455710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.455710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.455710 (E_RNA) where: Base-Base interactions energy: -99.692 where: short stacking energy: -64.866 Base-Backbone interact. energy: -0.003 local terms energy: -68.761020 where: bonds (distance) C4'-P energy: -12.859 bonds (distance) P-C4' energy: -13.811 flat angles C4'-P-C4' energy: -13.491 flat angles P-C4'-P energy: -10.222 tors. eta vs tors. theta energy: -18.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -165.656851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.656851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.656851 (E_RNA) where: Base-Base interactions energy: -100.856 where: short stacking energy: -67.255 Base-Backbone interact. energy: -0.268 local terms energy: -64.532655 where: bonds (distance) C4'-P energy: -10.985 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -13.750 flat angles P-C4'-P energy: -10.449 tors. eta vs tors. theta energy: -15.451 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: 3, replica: 8 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -138.764453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.764453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.764453 (E_RNA) where: Base-Base interactions energy: -86.186 where: short stacking energy: -50.767 Base-Backbone interact. energy: -0.281 local terms energy: -52.296983 where: bonds (distance) C4'-P energy: -13.089 bonds (distance) P-C4' energy: -12.791 flat angles C4'-P-C4' energy: -10.000 flat angles P-C4'-P energy: -9.546 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: 4, replica: 7 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -128.397919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.397919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.397919 (E_RNA) where: Base-Base interactions energy: -70.788 where: short stacking energy: -41.487 Base-Backbone interact. energy: -0.041 local terms energy: -57.569019 where: bonds (distance) C4'-P energy: -13.257 bonds (distance) P-C4' energy: -15.774 flat angles C4'-P-C4' energy: -13.483 flat angles P-C4'-P energy: -10.894 tors. eta vs tors. theta energy: -4.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -117.364546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.364546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.364546 (E_RNA) where: Base-Base interactions energy: -69.269 where: short stacking energy: -40.006 Base-Backbone interact. energy: -0.024 local terms energy: -48.071520 where: bonds (distance) C4'-P energy: -8.845 bonds (distance) P-C4' energy: -10.923 flat angles C4'-P-C4' energy: -9.924 flat angles P-C4'-P energy: -12.380 tors. eta vs tors. theta energy: -6.000 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: 9 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -129.681348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.681348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.681348 (E_RNA) where: Base-Base interactions energy: -69.426 where: short stacking energy: -47.254 Base-Backbone interact. energy: 0.240 local terms energy: -60.495340 where: bonds (distance) C4'-P energy: -12.924 bonds (distance) P-C4' energy: -14.400 flat angles C4'-P-C4' energy: -12.370 flat angles P-C4'-P energy: -7.532 tors. eta vs tors. theta energy: -13.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -95.610391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.610391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.610391 (E_RNA) where: Base-Base interactions energy: -47.921 where: short stacking energy: -28.160 Base-Backbone interact. energy: -0.066 local terms energy: -47.623416 where: bonds (distance) C4'-P energy: -6.480 bonds (distance) P-C4' energy: -14.927 flat angles C4'-P-C4' energy: -11.959 flat angles P-C4'-P energy: -7.789 tors. eta vs tors. theta energy: -6.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -80.761822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.761822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.761822 (E_RNA) where: Base-Base interactions energy: -34.787 where: short stacking energy: -34.120 Base-Backbone interact. energy: -0.060 local terms energy: -45.914871 where: bonds (distance) C4'-P energy: -8.791 bonds (distance) P-C4' energy: -13.029 flat angles C4'-P-C4' energy: -9.526 flat angles P-C4'-P energy: -6.178 tors. eta vs tors. theta energy: -8.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -76.092158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.092158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.092158 (E_RNA) where: Base-Base interactions energy: -27.222 where: short stacking energy: -24.636 Base-Backbone interact. energy: -0.191 local terms energy: -48.679398 where: bonds (distance) C4'-P energy: -13.249 bonds (distance) P-C4' energy: -10.933 flat angles C4'-P-C4' energy: -10.072 flat angles P-C4'-P energy: -9.588 tors. eta vs tors. theta energy: -4.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -84.474365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.474365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.474365 (E_RNA) where: Base-Base interactions energy: -38.115 where: short stacking energy: -38.115 Base-Backbone interact. energy: -0.727 local terms energy: -45.633025 where: bonds (distance) C4'-P energy: -12.372 bonds (distance) P-C4' energy: -10.364 flat angles C4'-P-C4' energy: -11.532 flat angles P-C4'-P energy: -4.592 tors. eta vs tors. theta energy: -6.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -163.065655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.065655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.065655 (E_RNA) where: Base-Base interactions energy: -95.463 where: short stacking energy: -58.230 Base-Backbone interact. energy: -0.016 local terms energy: -67.586874 where: bonds (distance) C4'-P energy: -14.760 bonds (distance) P-C4' energy: -14.709 flat angles C4'-P-C4' energy: -13.582 flat angles P-C4'-P energy: -8.994 tors. eta vs tors. theta energy: -15.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -171.968912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.968912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.968912 (E_RNA) where: Base-Base interactions energy: -107.083 where: short stacking energy: -63.166 Base-Backbone interact. energy: -0.001 local terms energy: -64.885539 where: bonds (distance) C4'-P energy: -12.810 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -11.402 flat angles P-C4'-P energy: -9.351 tors. eta vs tors. theta energy: -15.536 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: 8 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -135.803023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.803023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.803023 (E_RNA) where: Base-Base interactions energy: -81.685 where: short stacking energy: -47.421 Base-Backbone interact. energy: -0.160 local terms energy: -53.958036 where: bonds (distance) C4'-P energy: -12.719 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -14.264 flat angles P-C4'-P energy: -3.219 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: 4, replica: 7 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -112.255517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.255517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.255517 (E_RNA) where: Base-Base interactions energy: -69.205 where: short stacking energy: -43.756 Base-Backbone interact. energy: -1.285 local terms energy: -41.765092 where: bonds (distance) C4'-P energy: -8.187 bonds (distance) P-C4' energy: -13.716 flat angles C4'-P-C4' energy: -3.721 flat angles P-C4'-P energy: -10.014 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: 5, replica: 3 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -125.827777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.827777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.827777 (E_RNA) where: Base-Base interactions energy: -85.005 where: short stacking energy: -53.008 Base-Backbone interact. energy: -0.683 local terms energy: -40.139444 where: bonds (distance) C4'-P energy: -4.145 bonds (distance) P-C4' energy: -8.482 flat angles C4'-P-C4' energy: -9.770 flat angles P-C4'-P energy: -10.073 tors. eta vs tors. theta energy: -7.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -104.429322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.429322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.429322 (E_RNA) where: Base-Base interactions energy: -45.683 where: short stacking energy: -35.211 Base-Backbone interact. energy: -0.013 local terms energy: -58.733283 where: bonds (distance) C4'-P energy: -13.494 bonds (distance) P-C4' energy: -15.703 flat angles C4'-P-C4' energy: -9.991 flat angles P-C4'-P energy: -7.963 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: 7, replica: 6 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -85.699511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.699511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.699511 (E_RNA) where: Base-Base interactions energy: -33.199 where: short stacking energy: -33.199 Base-Backbone interact. energy: -0.381 local terms energy: -52.118934 where: bonds (distance) C4'-P energy: -6.646 bonds (distance) P-C4' energy: -16.241 flat angles C4'-P-C4' energy: -9.997 flat angles P-C4'-P energy: -10.897 tors. eta vs tors. theta energy: -8.337 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: 8, replica: 4 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -78.287367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.287367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.287367 (E_RNA) where: Base-Base interactions energy: -31.112 where: short stacking energy: -27.651 Base-Backbone interact. energy: -0.846 local terms energy: -46.329198 where: bonds (distance) C4'-P energy: -14.656 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -12.942 flat angles P-C4'-P energy: -7.844 tors. eta vs tors. theta energy: -2.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -72.584893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.584893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.584893 (E_RNA) where: Base-Base interactions energy: -27.556 where: short stacking energy: -25.343 Base-Backbone interact. energy: -1.438 local terms energy: -43.590808 where: bonds (distance) C4'-P energy: -12.666 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -9.648 flat angles P-C4'-P energy: -5.755 tors. eta vs tors. theta energy: -1.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -79.830073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.830073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.830073 (E_RNA) where: Base-Base interactions energy: -34.616 where: short stacking energy: -31.335 Base-Backbone interact. energy: -0.201 local terms energy: -45.012912 where: bonds (distance) C4'-P energy: -9.130 bonds (distance) P-C4' energy: -11.867 flat angles C4'-P-C4' energy: -11.796 flat angles P-C4'-P energy: -7.366 tors. eta vs tors. theta energy: -4.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -158.426432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.426432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.426432 (E_RNA) where: Base-Base interactions energy: -95.381 where: short stacking energy: -56.916 Base-Backbone interact. energy: -0.038 local terms energy: -63.007089 where: bonds (distance) C4'-P energy: -13.861 bonds (distance) P-C4' energy: -12.548 flat angles C4'-P-C4' energy: -12.904 flat angles P-C4'-P energy: -8.241 tors. eta vs tors. theta energy: -15.454 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: 8 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -156.114858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.114858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.114858 (E_RNA) where: Base-Base interactions energy: -91.068 where: short stacking energy: -58.275 Base-Backbone interact. energy: -0.049 local terms energy: -64.997034 where: bonds (distance) C4'-P energy: -12.736 bonds (distance) P-C4' energy: -15.939 flat angles C4'-P-C4' energy: -15.142 flat angles P-C4'-P energy: -9.481 tors. eta vs tors. theta energy: -11.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -149.462058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.462058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.462058 (E_RNA) where: Base-Base interactions energy: -89.003 where: short stacking energy: -55.146 Base-Backbone interact. energy: -0.001 local terms energy: -60.457801 where: bonds (distance) C4'-P energy: -10.805 bonds (distance) P-C4' energy: -11.768 flat angles C4'-P-C4' energy: -13.675 flat angles P-C4'-P energy: -9.329 tors. eta vs tors. theta energy: -14.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -129.862178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.862178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.862178 (E_RNA) where: Base-Base interactions energy: -73.714 where: short stacking energy: -48.400 Base-Backbone interact. energy: -0.090 local terms energy: -56.058559 where: bonds (distance) C4'-P energy: -12.993 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -12.210 flat angles P-C4'-P energy: -7.415 tors. eta vs tors. theta energy: -8.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -129.894739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.894739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.894739 (E_RNA) where: Base-Base interactions energy: -82.268 where: short stacking energy: -54.686 Base-Backbone interact. energy: -0.001 local terms energy: -47.625403 where: bonds (distance) C4'-P energy: -8.711 bonds (distance) P-C4' energy: -14.452 flat angles C4'-P-C4' energy: -8.276 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: -11.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -102.176083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.176083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.176083 (E_RNA) where: Base-Base interactions energy: -47.821 where: short stacking energy: -40.274 Base-Backbone interact. energy: -0.831 local terms energy: -53.524108 where: bonds (distance) C4'-P energy: -12.947 bonds (distance) P-C4' energy: -11.721 flat angles C4'-P-C4' energy: -12.457 flat angles P-C4'-P energy: -7.615 tors. eta vs tors. theta energy: -8.783 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: 7, replica: 9 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -95.339999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.339999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.339999 (E_RNA) where: Base-Base interactions energy: -45.641 where: short stacking energy: -44.108 Base-Backbone interact. energy: -0.121 local terms energy: -49.577598 where: bonds (distance) C4'-P energy: -11.813 bonds (distance) P-C4' energy: -9.194 flat angles C4'-P-C4' energy: -12.039 flat angles P-C4'-P energy: -8.151 tors. eta vs tors. theta energy: -8.381 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: 2 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -78.048618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.048618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.048618 (E_RNA) where: Base-Base interactions energy: -27.801 where: short stacking energy: -27.520 Base-Backbone interact. energy: 0.153 local terms energy: -50.400751 where: bonds (distance) C4'-P energy: -14.143 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -8.667 flat angles P-C4'-P energy: -8.354 tors. eta vs tors. theta energy: -6.627 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: 4 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -86.834634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.834634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.834634 (E_RNA) where: Base-Base interactions energy: -36.384 where: short stacking energy: -31.689 Base-Backbone interact. energy: -0.219 local terms energy: -50.231845 where: bonds (distance) C4'-P energy: -10.464 bonds (distance) P-C4' energy: -13.006 flat angles C4'-P-C4' energy: -13.417 flat angles P-C4'-P energy: -8.479 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: 10, replica: 10 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -91.465589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.465589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.465589 (E_RNA) where: Base-Base interactions energy: -48.948 where: short stacking energy: -21.614 Base-Backbone interact. energy: -0.086 local terms energy: -42.431880 where: bonds (distance) C4'-P energy: -12.070 bonds (distance) P-C4' energy: -11.229 flat angles C4'-P-C4' energy: -9.915 flat angles P-C4'-P energy: -8.048 tors. eta vs tors. theta energy: -1.170 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: 8 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -147.058327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.058327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.058327 (E_RNA) where: Base-Base interactions energy: -89.339 where: short stacking energy: -58.305 Base-Backbone interact. energy: -0.674 local terms energy: -57.044703 where: bonds (distance) C4'-P energy: -11.374 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -14.548 flat angles P-C4'-P energy: -5.915 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: 98 Temperature: 0.950000 Total energy: -150.333124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.333124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.333124 (E_RNA) where: Base-Base interactions energy: -94.316 where: short stacking energy: -55.034 Base-Backbone interact. energy: -0.070 local terms energy: -55.947147 where: bonds (distance) C4'-P energy: -9.400 bonds (distance) P-C4' energy: -13.480 flat angles C4'-P-C4' energy: -14.056 flat angles P-C4'-P energy: -4.914 tors. eta vs tors. theta energy: -14.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -145.030055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.030055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.030055 (E_RNA) where: Base-Base interactions energy: -95.485 where: short stacking energy: -52.979 Base-Backbone interact. energy: -1.116 local terms energy: -48.429534 where: bonds (distance) C4'-P energy: -13.499 bonds (distance) P-C4' energy: -10.098 flat angles C4'-P-C4' energy: -12.149 flat angles P-C4'-P energy: -4.843 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: 4, replica: 1 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -149.054790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.054790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.054790 (E_RNA) where: Base-Base interactions energy: -87.361 where: short stacking energy: -60.755 Base-Backbone interact. energy: -0.052 local terms energy: -61.641250 where: bonds (distance) C4'-P energy: -13.151 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -11.491 flat angles P-C4'-P energy: -9.622 tors. eta vs tors. theta energy: -13.997 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: 5, replica: 7 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -139.732962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.732962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.732962 (E_RNA) where: Base-Base interactions energy: -80.071 where: short stacking energy: -50.570 Base-Backbone interact. energy: -0.001 local terms energy: -59.661493 where: bonds (distance) C4'-P energy: -11.953 bonds (distance) P-C4' energy: -16.242 flat angles C4'-P-C4' energy: -15.172 flat angles P-C4'-P energy: -9.930 tors. eta vs tors. theta energy: -6.364 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: 6, replica: 6 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -104.749996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.749996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.749996 (E_RNA) where: Base-Base interactions energy: -54.710 where: short stacking energy: -31.494 Base-Backbone interact. energy: -0.243 local terms energy: -49.796454 where: bonds (distance) C4'-P energy: -10.082 bonds (distance) P-C4' energy: -13.814 flat angles C4'-P-C4' energy: -12.414 flat angles P-C4'-P energy: -8.833 tors. eta vs tors. theta energy: -4.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -83.821428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.821428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.821428 (E_RNA) where: Base-Base interactions energy: -35.790 where: short stacking energy: -32.921 Base-Backbone interact. energy: 0.254 local terms energy: -48.284993 where: bonds (distance) C4'-P energy: -6.931 bonds (distance) P-C4' energy: -12.771 flat angles C4'-P-C4' energy: -13.319 flat angles P-C4'-P energy: -10.160 tors. eta vs tors. theta energy: -5.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -92.184552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.184552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.184552 (E_RNA) where: Base-Base interactions energy: -53.302 where: short stacking energy: -31.450 Base-Backbone interact. energy: -0.422 local terms energy: -38.460084 where: bonds (distance) C4'-P energy: -10.663 bonds (distance) P-C4' energy: -8.367 flat angles C4'-P-C4' energy: -6.728 flat angles P-C4'-P energy: -8.243 tors. eta vs tors. theta energy: -4.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -73.248078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.248078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.248078 (E_RNA) where: Base-Base interactions energy: -34.101 where: short stacking energy: -34.017 Base-Backbone interact. energy: 0.520 local terms energy: -39.666805 where: bonds (distance) C4'-P energy: -7.371 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -10.958 flat angles P-C4'-P energy: -5.158 tors. eta vs tors. theta energy: -2.724 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: 10, replica: 4 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -71.142793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.142793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.142793 (E_RNA) where: Base-Base interactions energy: -28.505 where: short stacking energy: -25.927 Base-Backbone interact. energy: -0.031 local terms energy: -42.606141 where: bonds (distance) C4'-P energy: -8.873 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -8.879 flat angles P-C4'-P energy: -8.468 tors. eta vs tors. theta energy: -2.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -157.988271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.988271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.988271 (E_RNA) where: Base-Base interactions energy: -94.993 where: short stacking energy: -62.704 Base-Backbone interact. energy: -0.053 local terms energy: -62.942547 where: bonds (distance) C4'-P energy: -14.744 bonds (distance) P-C4' energy: -11.056 flat angles C4'-P-C4' energy: -14.702 flat angles P-C4'-P energy: -7.898 tors. eta vs tors. theta energy: -14.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -153.748973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.748973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.748973 (E_RNA) where: Base-Base interactions energy: -90.286 where: short stacking energy: -62.223 Base-Backbone interact. energy: -0.061 local terms energy: -63.402116 where: bonds (distance) C4'-P energy: -14.673 bonds (distance) P-C4' energy: -10.686 flat angles C4'-P-C4' energy: -14.618 flat angles P-C4'-P energy: -9.313 tors. eta vs tors. theta energy: -14.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -130.108050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.108050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.108050 (E_RNA) where: Base-Base interactions energy: -74.616 where: short stacking energy: -48.266 Base-Backbone interact. energy: -0.056 local terms energy: -55.436156 where: bonds (distance) C4'-P energy: -13.543 bonds (distance) P-C4' energy: -10.486 flat angles C4'-P-C4' energy: -15.504 flat angles P-C4'-P energy: -8.113 tors. eta vs tors. theta energy: -7.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -147.623598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.623598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.623598 (E_RNA) where: Base-Base interactions energy: -88.534 where: short stacking energy: -62.962 Base-Backbone interact. energy: -0.025 local terms energy: -59.064049 where: bonds (distance) C4'-P energy: -12.836 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -10.840 flat angles P-C4'-P energy: -7.723 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: 5, replica: 7 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -130.765899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.765899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.765899 (E_RNA) where: Base-Base interactions energy: -77.031 where: short stacking energy: -47.546 Base-Backbone interact. energy: -0.010 local terms energy: -53.725419 where: bonds (distance) C4'-P energy: -12.069 bonds (distance) P-C4' energy: -13.386 flat angles C4'-P-C4' energy: -13.781 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -8.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -107.075385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.075385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.075385 (E_RNA) where: Base-Base interactions energy: -59.870 where: short stacking energy: -47.261 Base-Backbone interact. energy: 0.305 local terms energy: -47.510361 where: bonds (distance) C4'-P energy: -10.741 bonds (distance) P-C4' energy: -12.517 flat angles C4'-P-C4' energy: -11.015 flat angles P-C4'-P energy: -8.782 tors. eta vs tors. theta energy: -4.454 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: 6 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -83.684150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.684150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.684150 (E_RNA) where: Base-Base interactions energy: -33.766 where: short stacking energy: -34.655 Base-Backbone interact. energy: -0.101 local terms energy: -49.817048 where: bonds (distance) C4'-P energy: -13.916 bonds (distance) P-C4' energy: -10.257 flat angles C4'-P-C4' energy: -11.591 flat angles P-C4'-P energy: -9.617 tors. eta vs tors. theta energy: -4.435 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: 8, replica: 9 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -94.224821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.224821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.224821 (E_RNA) where: Base-Base interactions energy: -48.091 where: short stacking energy: -35.073 Base-Backbone interact. energy: -1.916 local terms energy: -44.217052 where: bonds (distance) C4'-P energy: -12.604 bonds (distance) P-C4' energy: -10.892 flat angles C4'-P-C4' energy: -7.148 flat angles P-C4'-P energy: -6.589 tors. eta vs tors. theta energy: -6.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -93.956217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.956217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.956217 (E_RNA) where: Base-Base interactions energy: -44.412 where: short stacking energy: -40.798 Base-Backbone interact. energy: -1.286 local terms energy: -48.257843 where: bonds (distance) C4'-P energy: -9.727 bonds (distance) P-C4' energy: -12.355 flat angles C4'-P-C4' energy: -12.343 flat angles P-C4'-P energy: -6.609 tors. eta vs tors. theta energy: -7.224 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: 4 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -68.325134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.325134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.325134 (E_RNA) where: Base-Base interactions energy: -27.309 where: short stacking energy: -27.309 Base-Backbone interact. energy: -0.654 local terms energy: -40.361684 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -10.296 flat angles C4'-P-C4' energy: -12.361 flat angles P-C4'-P energy: -9.598 tors. eta vs tors. theta energy: -2.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -156.080335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.080335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.080335 (E_RNA) where: Base-Base interactions energy: -97.227 where: short stacking energy: -66.114 Base-Backbone interact. energy: -0.005 local terms energy: -58.848668 where: bonds (distance) C4'-P energy: -8.625 bonds (distance) P-C4' energy: -13.140 flat angles C4'-P-C4' energy: -14.070 flat angles P-C4'-P energy: -9.520 tors. eta vs tors. theta energy: -13.495 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: 8 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -145.396127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.396127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.396127 (E_RNA) where: Base-Base interactions energy: -85.548 where: short stacking energy: -56.603 Base-Backbone interact. energy: -0.000 local terms energy: -59.847824 where: bonds (distance) C4'-P energy: -10.546 bonds (distance) P-C4' energy: -14.433 flat angles C4'-P-C4' energy: -13.082 flat angles P-C4'-P energy: -9.972 tors. eta vs tors. theta energy: -11.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -148.472464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.472464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.472464 (E_RNA) where: Base-Base interactions energy: -87.763 where: short stacking energy: -54.313 Base-Backbone interact. energy: -0.065 local terms energy: -60.644372 where: bonds (distance) C4'-P energy: -12.327 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -11.445 flat angles P-C4'-P energy: -9.819 tors. eta vs tors. theta energy: -13.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -148.459923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.459923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.459923 (E_RNA) where: Base-Base interactions energy: -85.687 where: short stacking energy: -59.201 Base-Backbone interact. energy: -0.013 local terms energy: -62.759434 where: bonds (distance) C4'-P energy: -13.018 bonds (distance) P-C4' energy: -12.533 flat angles C4'-P-C4' energy: -15.906 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -15.805 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: 7 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -130.419842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.419842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.419842 (E_RNA) where: Base-Base interactions energy: -77.163 where: short stacking energy: -43.348 Base-Backbone interact. energy: -0.052 local terms energy: -53.204924 where: bonds (distance) C4'-P energy: -10.040 bonds (distance) P-C4' energy: -14.268 flat angles C4'-P-C4' energy: -11.328 flat angles P-C4'-P energy: -7.890 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: 6, replica: 2 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -97.796546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.796546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.796546 (E_RNA) where: Base-Base interactions energy: -48.007 where: short stacking energy: -38.753 Base-Backbone interact. energy: -0.155 local terms energy: -49.635143 where: bonds (distance) C4'-P energy: -9.906 bonds (distance) P-C4' energy: -12.697 flat angles C4'-P-C4' energy: -12.037 flat angles P-C4'-P energy: -10.933 tors. eta vs tors. theta energy: -4.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -109.501274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.501274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.501274 (E_RNA) where: Base-Base interactions energy: -58.505 where: short stacking energy: -27.479 Base-Backbone interact. energy: -0.620 local terms energy: -50.375825 where: bonds (distance) C4'-P energy: -11.266 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -13.415 flat angles P-C4'-P energy: -9.211 tors. eta vs tors. theta energy: -2.500 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: 6 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -97.183982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.183982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.183982 (E_RNA) where: Base-Base interactions energy: -45.161 where: short stacking energy: -43.569 Base-Backbone interact. energy: -0.009 local terms energy: -52.014188 where: bonds (distance) C4'-P energy: -11.785 bonds (distance) P-C4' energy: -9.233 flat angles C4'-P-C4' energy: -11.301 flat angles P-C4'-P energy: -9.217 tors. eta vs tors. theta energy: -10.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -74.440040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.440040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.440040 (E_RNA) where: Base-Base interactions energy: -30.460 where: short stacking energy: -30.460 Base-Backbone interact. energy: -0.175 local terms energy: -43.805623 where: bonds (distance) C4'-P energy: -10.508 bonds (distance) P-C4' energy: -10.182 flat angles C4'-P-C4' energy: -12.522 flat angles P-C4'-P energy: -7.081 tors. eta vs tors. theta energy: -3.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -70.521374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.521374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.521374 (E_RNA) where: Base-Base interactions energy: -26.822 where: short stacking energy: -23.414 Base-Backbone interact. energy: -0.225 local terms energy: -43.474410 where: bonds (distance) C4'-P energy: -7.275 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -13.476 flat angles P-C4'-P energy: -7.629 tors. eta vs tors. theta energy: -2.485 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: 5 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -160.324474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.324474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.324474 (E_RNA) where: Base-Base interactions energy: -96.923 where: short stacking energy: -62.452 Base-Backbone interact. energy: -0.193 local terms energy: -63.208476 where: bonds (distance) C4'-P energy: -12.077 bonds (distance) P-C4' energy: -12.641 flat angles C4'-P-C4' energy: -11.214 flat angles P-C4'-P energy: -9.239 tors. eta vs tors. theta energy: -18.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -160.869248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.869248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.869248 (E_RNA) where: Base-Base interactions energy: -98.274 where: short stacking energy: -65.987 Base-Backbone interact. energy: -0.012 local terms energy: -62.583622 where: bonds (distance) C4'-P energy: -10.098 bonds (distance) P-C4' energy: -10.964 flat angles C4'-P-C4' energy: -13.988 flat angles P-C4'-P energy: -11.987 tors. eta vs tors. theta energy: -15.547 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: 8 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -151.323580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.323580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.323580 (E_RNA) where: Base-Base interactions energy: -89.727 where: short stacking energy: -51.172 Base-Backbone interact. energy: -0.303 local terms energy: -61.293227 where: bonds (distance) C4'-P energy: -9.758 bonds (distance) P-C4' energy: -15.746 flat angles C4'-P-C4' energy: -14.718 flat angles P-C4'-P energy: -11.725 tors. eta vs tors. theta energy: -9.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -138.496448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.496448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.496448 (E_RNA) where: Base-Base interactions energy: -86.085 where: short stacking energy: -53.711 Base-Backbone interact. energy: -0.002 local terms energy: -52.410130 where: bonds (distance) C4'-P energy: -13.502 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -10.471 flat angles P-C4'-P energy: -6.590 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: 5, replica: 3 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -153.621228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.621228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.621228 (E_RNA) where: Base-Base interactions energy: -91.510 where: short stacking energy: -61.020 Base-Backbone interact. energy: -0.412 local terms energy: -61.699267 where: bonds (distance) C4'-P energy: -12.005 bonds (distance) P-C4' energy: -13.050 flat angles C4'-P-C4' energy: -16.011 flat angles P-C4'-P energy: -6.267 tors. eta vs tors. theta energy: -14.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -92.103773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.103773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.103773 (E_RNA) where: Base-Base interactions energy: -49.717 where: short stacking energy: -43.671 Base-Backbone interact. energy: -0.034 local terms energy: -42.353420 where: bonds (distance) C4'-P energy: -8.969 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -9.640 flat angles P-C4'-P energy: -7.230 tors. eta vs tors. theta energy: -3.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -82.411860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.411860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.411860 (E_RNA) where: Base-Base interactions energy: -42.215 where: short stacking energy: -42.215 Base-Backbone interact. energy: -0.328 local terms energy: -39.868538 where: bonds (distance) C4'-P energy: -4.309 bonds (distance) P-C4' energy: -11.397 flat angles C4'-P-C4' energy: -9.346 flat angles P-C4'-P energy: -7.092 tors. eta vs tors. theta energy: -7.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -73.588084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.588084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.588084 (E_RNA) where: Base-Base interactions energy: -35.969 where: short stacking energy: -24.204 Base-Backbone interact. energy: -0.372 local terms energy: -37.246838 where: bonds (distance) C4'-P energy: -3.698 bonds (distance) P-C4' energy: -14.142 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -11.622 tors. eta vs tors. theta energy: -0.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -73.136271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.136271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.136271 (E_RNA) where: Base-Base interactions energy: -34.682 where: short stacking energy: -32.158 Base-Backbone interact. energy: -0.402 local terms energy: -38.051846 where: bonds (distance) C4'-P energy: -8.042 bonds (distance) P-C4' energy: -11.009 flat angles C4'-P-C4' energy: -11.682 flat angles P-C4'-P energy: -6.456 tors. eta vs tors. theta energy: -0.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -77.409041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.409041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.409041 (E_RNA) where: Base-Base interactions energy: -36.313 where: short stacking energy: -19.299 Base-Backbone interact. energy: 0.186 local terms energy: -41.282485 where: bonds (distance) C4'-P energy: -12.728 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -11.115 flat angles P-C4'-P energy: -7.790 tors. eta vs tors. theta energy: -0.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -170.997318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.997318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.997318 (E_RNA) where: Base-Base interactions energy: -102.356 where: short stacking energy: -67.046 Base-Backbone interact. energy: -0.001 local terms energy: -68.639832 where: bonds (distance) C4'-P energy: -12.650 bonds (distance) P-C4' energy: -12.919 flat angles C4'-P-C4' energy: -13.535 flat angles P-C4'-P energy: -12.185 tors. eta vs tors. theta energy: -17.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -169.779704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.779704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.779704 (E_RNA) where: Base-Base interactions energy: -101.417 where: short stacking energy: -64.166 Base-Backbone interact. energy: -0.432 local terms energy: -67.931004 where: bonds (distance) C4'-P energy: -14.835 bonds (distance) P-C4' energy: -13.540 flat angles C4'-P-C4' energy: -13.471 flat angles P-C4'-P energy: -7.022 tors. eta vs tors. theta energy: -19.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -146.880730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.880730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.880730 (E_RNA) where: Base-Base interactions energy: -85.508 where: short stacking energy: -53.951 Base-Backbone interact. energy: -0.033 local terms energy: -61.339292 where: bonds (distance) C4'-P energy: -11.101 bonds (distance) P-C4' energy: -14.669 flat angles C4'-P-C4' energy: -12.891 flat angles P-C4'-P energy: -10.354 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: 7 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -144.467589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.467589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.467589 (E_RNA) where: Base-Base interactions energy: -88.365 where: short stacking energy: -64.223 Base-Backbone interact. energy: -0.001 local terms energy: -56.101523 where: bonds (distance) C4'-P energy: -13.134 bonds (distance) P-C4' energy: -13.555 flat angles C4'-P-C4' energy: -12.019 flat angles P-C4'-P energy: -4.213 tors. eta vs tors. theta energy: -13.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -130.323129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.323129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.323129 (E_RNA) where: Base-Base interactions energy: -77.116 where: short stacking energy: -46.706 Base-Backbone interact. energy: -0.052 local terms energy: -53.155896 where: bonds (distance) C4'-P energy: -14.964 bonds (distance) P-C4' energy: -12.714 flat angles C4'-P-C4' energy: -10.139 flat angles P-C4'-P energy: -6.265 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: 6, replica: 2 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -87.118555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.118555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.118555 (E_RNA) where: Base-Base interactions energy: -36.340 where: short stacking energy: -36.440 Base-Backbone interact. energy: -0.204 local terms energy: -50.573922 where: bonds (distance) C4'-P energy: -11.973 bonds (distance) P-C4' energy: -12.046 flat angles C4'-P-C4' energy: -10.732 flat angles P-C4'-P energy: -7.489 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: 7, replica: 6 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -86.560896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.560896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.560896 (E_RNA) where: Base-Base interactions energy: -37.416 where: short stacking energy: -25.961 Base-Backbone interact. energy: -0.333 local terms energy: -48.811931 where: bonds (distance) C4'-P energy: -13.646 bonds (distance) P-C4' energy: -11.274 flat angles C4'-P-C4' energy: -14.234 flat angles P-C4'-P energy: -10.523 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: 8, replica: 9 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -93.701868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.701868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.701868 (E_RNA) where: Base-Base interactions energy: -44.582 where: short stacking energy: -36.734 Base-Backbone interact. energy: -0.181 local terms energy: -48.938818 where: bonds (distance) C4'-P energy: -9.023 bonds (distance) P-C4' energy: -14.946 flat angles C4'-P-C4' energy: -13.606 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -6.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -78.649767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.649767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.649767 (E_RNA) where: Base-Base interactions energy: -34.081 where: short stacking energy: -32.190 Base-Backbone interact. energy: 0.109 local terms energy: -44.677755 where: bonds (distance) C4'-P energy: -10.733 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -13.726 flat angles P-C4'-P energy: -8.614 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: 10, replica: 10 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -75.719279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.719279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.719279 (E_RNA) where: Base-Base interactions energy: -37.833 where: short stacking energy: -37.056 Base-Backbone interact. energy: -0.083 local terms energy: -37.802990 where: bonds (distance) C4'-P energy: -5.189 bonds (distance) P-C4' energy: -13.982 flat angles C4'-P-C4' energy: -9.654 flat angles P-C4'-P energy: -9.797 tors. eta vs tors. theta energy: 0.819 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: 1 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -172.624602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.624602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.624602 (E_RNA) where: Base-Base interactions energy: -103.636 where: short stacking energy: -58.093 Base-Backbone interact. energy: -0.981 local terms energy: -68.007681 where: bonds (distance) C4'-P energy: -13.880 bonds (distance) P-C4' energy: -11.843 flat angles C4'-P-C4' energy: -14.031 flat angles P-C4'-P energy: -11.996 tors. eta vs tors. theta energy: -16.258 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: 8 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -155.315013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.315013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.315013 (E_RNA) where: Base-Base interactions energy: -92.750 where: short stacking energy: -58.531 Base-Backbone interact. energy: -0.429 local terms energy: -62.136158 where: bonds (distance) C4'-P energy: -11.739 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -14.015 flat angles P-C4'-P energy: -9.505 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: 3, replica: 5 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -149.035761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.035761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.035761 (E_RNA) where: Base-Base interactions energy: -87.957 where: short stacking energy: -55.439 Base-Backbone interact. energy: -0.001 local terms energy: -61.078097 where: bonds (distance) C4'-P energy: -11.168 bonds (distance) P-C4' energy: -14.022 flat angles C4'-P-C4' energy: -12.096 flat angles P-C4'-P energy: -8.691 tors. eta vs tors. theta energy: -15.101 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: 4, replica: 7 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -135.379105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.379105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.379105 (E_RNA) where: Base-Base interactions energy: -81.707 where: short stacking energy: -52.245 Base-Backbone interact. energy: -0.003 local terms energy: -53.669358 where: bonds (distance) C4'-P energy: -10.418 bonds (distance) P-C4' energy: -11.182 flat angles C4'-P-C4' energy: -12.313 flat angles P-C4'-P energy: -7.005 tors. eta vs tors. theta energy: -12.751 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: 3 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -92.439245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.439245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.439245 (E_RNA) where: Base-Base interactions energy: -42.433 where: short stacking energy: -36.487 Base-Backbone interact. energy: -0.127 local terms energy: -49.879382 where: bonds (distance) C4'-P energy: -13.055 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -11.146 flat angles P-C4'-P energy: -9.962 tors. eta vs tors. theta energy: -2.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -78.200147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.200147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.200147 (E_RNA) where: Base-Base interactions energy: -36.546 where: short stacking energy: -36.546 Base-Backbone interact. energy: 1.071 local terms energy: -42.725867 where: bonds (distance) C4'-P energy: -12.588 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -7.725 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: -5.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -78.663140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.663140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.663140 (E_RNA) where: Base-Base interactions energy: -29.197 where: short stacking energy: -29.197 Base-Backbone interact. energy: -0.334 local terms energy: -49.131413 where: bonds (distance) C4'-P energy: -13.097 bonds (distance) P-C4' energy: -14.255 flat angles C4'-P-C4' energy: -9.313 flat angles P-C4'-P energy: -11.599 tors. eta vs tors. theta energy: -0.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -82.734195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.734195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.734195 (E_RNA) where: Base-Base interactions energy: -43.017 where: short stacking energy: -39.304 Base-Backbone interact. energy: -0.125 local terms energy: -39.591653 where: bonds (distance) C4'-P energy: -5.155 bonds (distance) P-C4' energy: -9.047 flat angles C4'-P-C4' energy: -10.893 flat angles P-C4'-P energy: -2.726 tors. eta vs tors. theta energy: -11.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -79.118964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.118964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.118964 (E_RNA) where: Base-Base interactions energy: -38.583 where: short stacking energy: -27.493 Base-Backbone interact. energy: -0.021 local terms energy: -40.515012 where: bonds (distance) C4'-P energy: -5.337 bonds (distance) P-C4' energy: -12.754 flat angles C4'-P-C4' energy: -9.620 flat angles P-C4'-P energy: -7.564 tors. eta vs tors. theta energy: -5.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -72.504328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.504328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.504328 (E_RNA) where: Base-Base interactions energy: -31.753 where: short stacking energy: -30.799 Base-Backbone interact. energy: -0.031 local terms energy: -40.720481 where: bonds (distance) C4'-P energy: -10.936 bonds (distance) P-C4' energy: -10.499 flat angles C4'-P-C4' energy: -11.079 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -4.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -159.408779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.408779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.408779 (E_RNA) where: Base-Base interactions energy: -94.031 where: short stacking energy: -54.358 Base-Backbone interact. energy: -0.326 local terms energy: -65.051971 where: bonds (distance) C4'-P energy: -14.719 bonds (distance) P-C4' energy: -15.383 flat angles C4'-P-C4' energy: -13.788 flat angles P-C4'-P energy: -8.307 tors. eta vs tors. theta energy: -12.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -143.427780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.427780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.427780 (E_RNA) where: Base-Base interactions energy: -89.715 where: short stacking energy: -58.470 Base-Backbone interact. energy: -0.668 local terms energy: -53.044944 where: bonds (distance) C4'-P energy: -13.412 bonds (distance) P-C4' energy: -11.260 flat angles C4'-P-C4' energy: -12.850 flat angles P-C4'-P energy: -4.933 tors. eta vs tors. theta energy: -10.590 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: 7 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -157.332204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.332204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.332204 (E_RNA) where: Base-Base interactions energy: -93.178 where: short stacking energy: -59.029 Base-Backbone interact. energy: -0.232 local terms energy: -63.922504 where: bonds (distance) C4'-P energy: -12.390 bonds (distance) P-C4' energy: -15.992 flat angles C4'-P-C4' energy: -15.876 flat angles P-C4'-P energy: -8.011 tors. eta vs tors. theta energy: -11.654 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: 104 Temperature: 1.050000 Total energy: -146.708104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.708104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.708104 (E_RNA) where: Base-Base interactions energy: -91.379 where: short stacking energy: -60.241 Base-Backbone interact. energy: -0.096 local terms energy: -55.233493 where: bonds (distance) C4'-P energy: -11.991 bonds (distance) P-C4' energy: -13.215 flat angles C4'-P-C4' energy: -13.147 flat angles P-C4'-P energy: -3.462 tors. eta vs tors. theta energy: -13.419 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: 3 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -117.381062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.381062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.381062 (E_RNA) where: Base-Base interactions energy: -66.255 where: short stacking energy: -52.253 Base-Backbone interact. energy: -0.211 local terms energy: -50.914822 where: bonds (distance) C4'-P energy: -10.653 bonds (distance) P-C4' energy: -10.858 flat angles C4'-P-C4' energy: -9.559 flat angles P-C4'-P energy: -9.363 tors. eta vs tors. theta energy: -10.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -94.090114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.090114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.090114 (E_RNA) where: Base-Base interactions energy: -45.537 where: short stacking energy: -45.529 Base-Backbone interact. energy: -0.058 local terms energy: -48.495206 where: bonds (distance) C4'-P energy: -8.066 bonds (distance) P-C4' energy: -14.942 flat angles C4'-P-C4' energy: -8.440 flat angles P-C4'-P energy: -8.282 tors. eta vs tors. theta energy: -8.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -87.773524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.773524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.773524 (E_RNA) where: Base-Base interactions energy: -33.776 where: short stacking energy: -31.198 Base-Backbone interact. energy: -0.020 local terms energy: -53.977471 where: bonds (distance) C4'-P energy: -12.673 bonds (distance) P-C4' energy: -15.467 flat angles C4'-P-C4' energy: -14.461 flat angles P-C4'-P energy: -2.847 tors. eta vs tors. theta energy: -8.529 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: 6 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -117.251398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.251398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.251398 (E_RNA) where: Base-Base interactions energy: -76.969 where: short stacking energy: -40.281 Base-Backbone interact. energy: -0.178 local terms energy: -40.104452 where: bonds (distance) C4'-P energy: -8.983 bonds (distance) P-C4' energy: -11.919 flat angles C4'-P-C4' energy: -8.844 flat angles P-C4'-P energy: -3.752 tors. eta vs tors. theta energy: -6.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -76.059424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.059424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.059424 (E_RNA) where: Base-Base interactions energy: -32.233 where: short stacking energy: -28.191 Base-Backbone interact. energy: -0.427 local terms energy: -43.399736 where: bonds (distance) C4'-P energy: -10.794 bonds (distance) P-C4' energy: -11.949 flat angles C4'-P-C4' energy: -10.329 flat angles P-C4'-P energy: -7.941 tors. eta vs tors. theta energy: -2.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -71.938674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.938674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.938674 (E_RNA) where: Base-Base interactions energy: -28.371 where: short stacking energy: -23.658 Base-Backbone interact. energy: -0.125 local terms energy: -43.442356 where: bonds (distance) C4'-P energy: -10.206 bonds (distance) P-C4' energy: -9.016 flat angles C4'-P-C4' energy: -12.070 flat angles P-C4'-P energy: -9.974 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: 1 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -162.695118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.695118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.695118 (E_RNA) where: Base-Base interactions energy: -96.401 where: short stacking energy: -66.706 Base-Backbone interact. energy: 0.358 local terms energy: -66.652624 where: bonds (distance) C4'-P energy: -13.882 bonds (distance) P-C4' energy: -14.636 flat angles C4'-P-C4' energy: -14.332 flat angles P-C4'-P energy: -9.438 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: 2, replica: 7 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -150.860387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.860387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.860387 (E_RNA) where: Base-Base interactions energy: -93.302 where: short stacking energy: -60.970 Base-Backbone interact. energy: -0.334 local terms energy: -57.223608 where: bonds (distance) C4'-P energy: -11.465 bonds (distance) P-C4' energy: -10.818 flat angles C4'-P-C4' energy: -8.908 flat angles P-C4'-P energy: -12.230 tors. eta vs tors. theta energy: -13.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -149.315450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.315450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.315450 (E_RNA) where: Base-Base interactions energy: -92.539 where: short stacking energy: -57.148 Base-Backbone interact. energy: -0.040 local terms energy: -56.736292 where: bonds (distance) C4'-P energy: -11.619 bonds (distance) P-C4' energy: -12.494 flat angles C4'-P-C4' energy: -10.932 flat angles P-C4'-P energy: -8.298 tors. eta vs tors. theta energy: -13.393 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: 3 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -101.267422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.267422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.267422 (E_RNA) where: Base-Base interactions energy: -45.499 where: short stacking energy: -45.499 Base-Backbone interact. energy: -0.000 local terms energy: -55.768399 where: bonds (distance) C4'-P energy: -13.249 bonds (distance) P-C4' energy: -8.111 flat angles C4'-P-C4' energy: -12.697 flat angles P-C4'-P energy: -8.785 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: 5, replica: 5 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -141.456857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.456857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.456857 (E_RNA) where: Base-Base interactions energy: -86.043 where: short stacking energy: -51.434 Base-Backbone interact. energy: -0.237 local terms energy: -55.176886 where: bonds (distance) C4'-P energy: -12.951 bonds (distance) P-C4' energy: -11.192 flat angles C4'-P-C4' energy: -14.972 flat angles P-C4'-P energy: -8.382 tors. eta vs tors. theta energy: -7.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -91.724269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.724269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.724269 (E_RNA) where: Base-Base interactions energy: -38.070 where: short stacking energy: -38.070 Base-Backbone interact. energy: -0.343 local terms energy: -53.311437 where: bonds (distance) C4'-P energy: -11.084 bonds (distance) P-C4' energy: -12.173 flat angles C4'-P-C4' energy: -10.495 flat angles P-C4'-P energy: -8.059 tors. eta vs tors. theta energy: -11.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -93.370699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.370699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.370699 (E_RNA) where: Base-Base interactions energy: -45.141 where: short stacking energy: -45.141 Base-Backbone interact. energy: 0.887 local terms energy: -49.116333 where: bonds (distance) C4'-P energy: -13.064 bonds (distance) P-C4' energy: -10.319 flat angles C4'-P-C4' energy: -9.883 flat angles P-C4'-P energy: -6.096 tors. eta vs tors. theta energy: -9.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -105.279236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.279236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.279236 (E_RNA) where: Base-Base interactions energy: -58.056 where: short stacking energy: -28.210 Base-Backbone interact. energy: -0.043 local terms energy: -47.179675 where: bonds (distance) C4'-P energy: -12.248 bonds (distance) P-C4' energy: -11.342 flat angles C4'-P-C4' energy: -12.361 flat angles P-C4'-P energy: -7.283 tors. eta vs tors. theta energy: -3.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -87.052855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.052855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.052855 (E_RNA) where: Base-Base interactions energy: -35.786 where: short stacking energy: -30.381 Base-Backbone interact. energy: -0.465 local terms energy: -50.801891 where: bonds (distance) C4'-P energy: -11.153 bonds (distance) P-C4' energy: -11.787 flat angles C4'-P-C4' energy: -13.165 flat angles P-C4'-P energy: -12.095 tors. eta vs tors. theta energy: -2.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -89.382877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.382877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.382877 (E_RNA) where: Base-Base interactions energy: -38.656 where: short stacking energy: -28.175 Base-Backbone interact. energy: -0.109 local terms energy: -50.617489 where: bonds (distance) C4'-P energy: -11.797 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -12.916 flat angles P-C4'-P energy: -6.298 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: 7 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -159.413027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.413027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.413027 (E_RNA) where: Base-Base interactions energy: -95.584 where: short stacking energy: -57.943 Base-Backbone interact. energy: -0.034 local terms energy: -63.795228 where: bonds (distance) C4'-P energy: -14.032 bonds (distance) P-C4' energy: -11.460 flat angles C4'-P-C4' energy: -13.071 flat angles P-C4'-P energy: -9.664 tors. eta vs tors. theta energy: -15.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -150.381996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.381996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.381996 (E_RNA) where: Base-Base interactions energy: -90.467 where: short stacking energy: -58.870 Base-Backbone interact. energy: -0.340 local terms energy: -59.575665 where: bonds (distance) C4'-P energy: -13.730 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -10.990 flat angles P-C4'-P energy: -6.053 tors. eta vs tors. theta energy: -14.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -145.657508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.657508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.657508 (E_RNA) where: Base-Base interactions energy: -85.062 where: short stacking energy: -53.724 Base-Backbone interact. energy: -0.022 local terms energy: -60.572916 where: bonds (distance) C4'-P energy: -13.954 bonds (distance) P-C4' energy: -13.004 flat angles C4'-P-C4' energy: -14.314 flat angles P-C4'-P energy: -7.423 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: 4, replica: 3 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -106.479334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.479334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.479334 (E_RNA) where: Base-Base interactions energy: -54.529 where: short stacking energy: -54.529 Base-Backbone interact. energy: -0.032 local terms energy: -51.919133 where: bonds (distance) C4'-P energy: -8.551 bonds (distance) P-C4' energy: -10.362 flat angles C4'-P-C4' energy: -12.875 flat angles P-C4'-P energy: -8.027 tors. eta vs tors. theta energy: -12.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -135.963278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.963278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.963278 (E_RNA) where: Base-Base interactions energy: -82.176 where: short stacking energy: -55.608 Base-Backbone interact. energy: -0.003 local terms energy: -53.784209 where: bonds (distance) C4'-P energy: -11.727 bonds (distance) P-C4' energy: -12.325 flat angles C4'-P-C4' energy: -13.911 flat angles P-C4'-P energy: -6.685 tors. eta vs tors. theta energy: -9.136 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: 2 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -101.791333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.791333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.791333 (E_RNA) where: Base-Base interactions energy: -49.049 where: short stacking energy: -43.418 Base-Backbone interact. energy: -0.096 local terms energy: -52.646607 where: bonds (distance) C4'-P energy: -13.944 bonds (distance) P-C4' energy: -8.755 flat angles C4'-P-C4' energy: -12.483 flat angles P-C4'-P energy: -9.452 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: 7, replica: 6 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -108.915580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.915580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.915580 (E_RNA) where: Base-Base interactions energy: -58.273 where: short stacking energy: -35.743 Base-Backbone interact. energy: -0.006 local terms energy: -50.636669 where: bonds (distance) C4'-P energy: -11.363 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -10.947 flat angles P-C4'-P energy: -9.169 tors. eta vs tors. theta energy: -5.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -81.654292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.654292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.654292 (E_RNA) where: Base-Base interactions energy: -34.671 where: short stacking energy: -33.365 Base-Backbone interact. energy: -0.138 local terms energy: -46.844481 where: bonds (distance) C4'-P energy: -12.326 bonds (distance) P-C4' energy: -14.624 flat angles C4'-P-C4' energy: -8.653 flat angles P-C4'-P energy: -8.510 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -73.878280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.878280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.878280 (E_RNA) where: Base-Base interactions energy: -33.289 where: short stacking energy: -31.408 Base-Backbone interact. energy: -0.188 local terms energy: -40.401090 where: bonds (distance) C4'-P energy: -12.471 bonds (distance) P-C4' energy: -12.050 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -3.865 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: 10, replica: 10 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -74.520585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.520585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.520585 (E_RNA) where: Base-Base interactions energy: -33.678 where: short stacking energy: -33.678 Base-Backbone interact. energy: -0.107 local terms energy: -40.735498 where: bonds (distance) C4'-P energy: -11.134 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -0.047 tors. eta vs tors. theta energy: -11.133 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: 7 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -165.432782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.432782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.432782 (E_RNA) where: Base-Base interactions energy: -99.838 where: short stacking energy: -63.154 Base-Backbone interact. energy: -0.507 local terms energy: -65.087781 where: bonds (distance) C4'-P energy: -12.073 bonds (distance) P-C4' energy: -12.544 flat angles C4'-P-C4' energy: -14.294 flat angles P-C4'-P energy: -9.367 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: 8 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -162.501971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.501971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.501971 (E_RNA) where: Base-Base interactions energy: -97.183 where: short stacking energy: -65.885 Base-Backbone interact. energy: -0.048 local terms energy: -65.270883 where: bonds (distance) C4'-P energy: -11.374 bonds (distance) P-C4' energy: -14.847 flat angles C4'-P-C4' energy: -13.319 flat angles P-C4'-P energy: -9.045 tors. eta vs tors. theta energy: -16.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -141.281842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.281842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.281842 (E_RNA) where: Base-Base interactions energy: -82.339 where: short stacking energy: -49.223 Base-Backbone interact. energy: -0.026 local terms energy: -58.916346 where: bonds (distance) C4'-P energy: -12.064 bonds (distance) P-C4' energy: -11.979 flat angles C4'-P-C4' energy: -11.806 flat angles P-C4'-P energy: -8.734 tors. eta vs tors. theta energy: -14.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -141.226054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.226054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.226054 (E_RNA) where: Base-Base interactions energy: -87.822 where: short stacking energy: -49.628 Base-Backbone interact. energy: -0.095 local terms energy: -53.309101 where: bonds (distance) C4'-P energy: -9.709 bonds (distance) P-C4' energy: -11.035 flat angles C4'-P-C4' energy: -12.983 flat angles P-C4'-P energy: -6.467 tors. eta vs tors. theta energy: -13.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -115.154325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.154325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.154325 (E_RNA) where: Base-Base interactions energy: -69.913 where: short stacking energy: -41.423 Base-Backbone interact. energy: -0.521 local terms energy: -44.720215 where: bonds (distance) C4'-P energy: -12.911 bonds (distance) P-C4' energy: -8.843 flat angles C4'-P-C4' energy: -10.775 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: -7.367 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: 6 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -128.718198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.718198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.718198 (E_RNA) where: Base-Base interactions energy: -69.757 where: short stacking energy: -40.867 Base-Backbone interact. energy: -1.637 local terms energy: -57.324115 where: bonds (distance) C4'-P energy: -12.090 bonds (distance) P-C4' energy: -12.007 flat angles C4'-P-C4' energy: -13.734 flat angles P-C4'-P energy: -10.589 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: 7, replica: 2 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -102.908140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.908140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.908140 (E_RNA) where: Base-Base interactions energy: -56.244 where: short stacking energy: -34.555 Base-Backbone interact. energy: -0.214 local terms energy: -46.450374 where: bonds (distance) C4'-P energy: -13.034 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -9.710 flat angles P-C4'-P energy: -4.895 tors. eta vs tors. theta energy: -4.215 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: 4 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -88.196660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.196660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.196660 (E_RNA) where: Base-Base interactions energy: -40.216 where: short stacking energy: -36.500 Base-Backbone interact. energy: -0.036 local terms energy: -47.944978 where: bonds (distance) C4'-P energy: -11.194 bonds (distance) P-C4' energy: -13.616 flat angles C4'-P-C4' energy: -10.508 flat angles P-C4'-P energy: -5.848 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: 9, replica: 9 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -91.215802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.215802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.215802 (E_RNA) where: Base-Base interactions energy: -43.850 where: short stacking energy: -43.850 Base-Backbone interact. energy: -0.013 local terms energy: -47.352112 where: bonds (distance) C4'-P energy: -11.664 bonds (distance) P-C4' energy: -12.138 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -7.843 tors. eta vs tors. theta energy: -8.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -76.696203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.696203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.696203 (E_RNA) where: Base-Base interactions energy: -32.840 where: short stacking energy: -27.567 Base-Backbone interact. energy: 1.140 local terms energy: -44.995575 where: bonds (distance) C4'-P energy: -8.131 bonds (distance) P-C4' energy: -12.247 flat angles C4'-P-C4' energy: -14.329 flat angles P-C4'-P energy: -6.813 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: 1, replica: 8 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -168.431259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.431259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.431259 (E_RNA) where: Base-Base interactions energy: -102.915 where: short stacking energy: -65.353 Base-Backbone interact. energy: -0.015 local terms energy: -65.500649 where: bonds (distance) C4'-P energy: -13.618 bonds (distance) P-C4' energy: -11.570 flat angles C4'-P-C4' energy: -13.232 flat angles P-C4'-P energy: -9.037 tors. eta vs tors. theta energy: -18.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -154.357138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.357138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.357138 (E_RNA) where: Base-Base interactions energy: -88.137 where: short stacking energy: -54.590 Base-Backbone interact. energy: -0.293 local terms energy: -65.927036 where: bonds (distance) C4'-P energy: -13.875 bonds (distance) P-C4' energy: -15.795 flat angles C4'-P-C4' energy: -12.233 flat angles P-C4'-P energy: -6.507 tors. eta vs tors. theta energy: -17.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -142.108243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.108243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.108243 (E_RNA) where: Base-Base interactions energy: -84.814 where: short stacking energy: -52.222 Base-Backbone interact. energy: -0.114 local terms energy: -57.180048 where: bonds (distance) C4'-P energy: -11.457 bonds (distance) P-C4' energy: -11.989 flat angles C4'-P-C4' energy: -13.472 flat angles P-C4'-P energy: -7.057 tors. eta vs tors. theta energy: -13.205 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: 1 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -147.530584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.530584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.530584 (E_RNA) where: Base-Base interactions energy: -87.001 where: short stacking energy: -56.797 Base-Backbone interact. energy: -0.022 local terms energy: -60.507928 where: bonds (distance) C4'-P energy: -13.961 bonds (distance) P-C4' energy: -9.733 flat angles C4'-P-C4' energy: -14.119 flat angles P-C4'-P energy: -11.159 tors. eta vs tors. theta energy: -11.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -142.871358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.871358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.871358 (E_RNA) where: Base-Base interactions energy: -85.181 where: short stacking energy: -36.481 Base-Backbone interact. energy: 0.111 local terms energy: -57.800991 where: bonds (distance) C4'-P energy: -11.022 bonds (distance) P-C4' energy: -14.696 flat angles C4'-P-C4' energy: -12.257 flat angles P-C4'-P energy: -10.469 tors. eta vs tors. theta energy: -9.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -127.764026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.764026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.764026 (E_RNA) where: Base-Base interactions energy: -69.508 where: short stacking energy: -35.939 Base-Backbone interact. energy: -0.039 local terms energy: -58.216606 where: bonds (distance) C4'-P energy: -14.289 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -13.916 flat angles P-C4'-P energy: -6.698 tors. eta vs tors. theta energy: -8.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -89.748252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.748252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.748252 (E_RNA) where: Base-Base interactions energy: -36.448 where: short stacking energy: -36.375 Base-Backbone interact. energy: -0.114 local terms energy: -53.186011 where: bonds (distance) C4'-P energy: -10.426 bonds (distance) P-C4' energy: -12.132 flat angles C4'-P-C4' energy: -14.182 flat angles P-C4'-P energy: -7.843 tors. eta vs tors. theta energy: -8.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -90.454786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.454786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.454786 (E_RNA) where: Base-Base interactions energy: -38.140 where: short stacking energy: -37.585 Base-Backbone interact. energy: -0.019 local terms energy: -52.295778 where: bonds (distance) C4'-P energy: -12.172 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -11.883 flat angles P-C4'-P energy: -6.267 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: 9, replica: 10 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -85.758174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.758174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.758174 (E_RNA) where: Base-Base interactions energy: -40.930 where: short stacking energy: -40.930 Base-Backbone interact. energy: -0.011 local terms energy: -44.816509 where: bonds (distance) C4'-P energy: -8.398 bonds (distance) P-C4' energy: -13.216 flat angles C4'-P-C4' energy: -9.121 flat angles P-C4'-P energy: -7.831 tors. eta vs tors. theta energy: -6.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -70.727315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.727315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.727315 (E_RNA) where: Base-Base interactions energy: -28.392 where: short stacking energy: -27.462 Base-Backbone interact. energy: -0.089 local terms energy: -42.246372 where: bonds (distance) C4'-P energy: -9.316 bonds (distance) P-C4' energy: -7.685 flat angles C4'-P-C4' energy: -12.531 flat angles P-C4'-P energy: -7.990 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: 1, replica: 8 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -152.823729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.823729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.823729 (E_RNA) where: Base-Base interactions energy: -92.825 where: short stacking energy: -58.865 Base-Backbone interact. energy: -0.034 local terms energy: -59.964295 where: bonds (distance) C4'-P energy: -11.645 bonds (distance) P-C4' energy: -13.205 flat angles C4'-P-C4' energy: -13.602 flat angles P-C4'-P energy: -6.061 tors. eta vs tors. theta energy: -15.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -145.737313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.737313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.737313 (E_RNA) where: Base-Base interactions energy: -92.277 where: short stacking energy: -55.276 Base-Backbone interact. energy: -0.000 local terms energy: -53.460320 where: bonds (distance) C4'-P energy: -8.127 bonds (distance) P-C4' energy: -13.398 flat angles C4'-P-C4' energy: -13.889 flat angles P-C4'-P energy: -5.400 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: 3, replica: 7 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -152.954980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.954980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.954980 (E_RNA) where: Base-Base interactions energy: -89.910 where: short stacking energy: -57.221 Base-Backbone interact. energy: -0.782 local terms energy: -62.263291 where: bonds (distance) C4'-P energy: -13.191 bonds (distance) P-C4' energy: -13.056 flat angles C4'-P-C4' energy: -14.646 flat angles P-C4'-P energy: -7.807 tors. eta vs tors. theta energy: -13.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -143.363380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.363380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.363380 (E_RNA) where: Base-Base interactions energy: -93.117 where: short stacking energy: -57.490 Base-Backbone interact. energy: -0.001 local terms energy: -50.245406 where: bonds (distance) C4'-P energy: -11.013 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -10.762 flat angles P-C4'-P energy: -7.236 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: 5, replica: 1 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -131.146668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.146668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.146668 (E_RNA) where: Base-Base interactions energy: -76.523 where: short stacking energy: -49.496 Base-Backbone interact. energy: -0.099 local terms energy: -54.524748 where: bonds (distance) C4'-P energy: -12.048 bonds (distance) P-C4' energy: -11.032 flat angles C4'-P-C4' energy: -12.266 flat angles P-C4'-P energy: -10.824 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: 4 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -88.583356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.583356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.583356 (E_RNA) where: Base-Base interactions energy: -38.873 where: short stacking energy: -35.709 Base-Backbone interact. energy: 0.057 local terms energy: -49.767336 where: bonds (distance) C4'-P energy: -10.562 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -13.843 flat angles P-C4'-P energy: -5.692 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: 3 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -121.957944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.957944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.957944 (E_RNA) where: Base-Base interactions energy: -70.738 where: short stacking energy: -43.980 Base-Backbone interact. energy: -0.081 local terms energy: -51.138849 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -13.744 flat angles P-C4'-P energy: -10.771 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: 8, replica: 10 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -85.610802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.610802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.610802 (E_RNA) where: Base-Base interactions energy: -35.528 where: short stacking energy: -33.813 Base-Backbone interact. energy: -0.103 local terms energy: -49.980600 where: bonds (distance) C4'-P energy: -14.014 bonds (distance) P-C4' energy: -11.738 flat angles C4'-P-C4' energy: -10.322 flat angles P-C4'-P energy: -6.810 tors. eta vs tors. theta energy: -7.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -80.246984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.246984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.246984 (E_RNA) where: Base-Base interactions energy: -31.315 where: short stacking energy: -27.414 Base-Backbone interact. energy: -0.096 local terms energy: -48.835392 where: bonds (distance) C4'-P energy: -11.955 bonds (distance) P-C4' energy: -11.592 flat angles C4'-P-C4' energy: -12.180 flat angles P-C4'-P energy: -10.981 tors. eta vs tors. theta energy: -2.128 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: 109 Temperature: 1.350000 Total energy: -69.197618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.197618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.197618 (E_RNA) where: Base-Base interactions energy: -31.686 where: short stacking energy: -31.686 Base-Backbone interact. energy: -0.792 local terms energy: -36.719945 where: bonds (distance) C4'-P energy: -11.271 bonds (distance) P-C4' energy: -7.943 flat angles C4'-P-C4' energy: -8.849 flat angles P-C4'-P energy: -6.433 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: 1, replica: 8 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -159.637865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.637865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.637865 (E_RNA) where: Base-Base interactions energy: -98.148 where: short stacking energy: -61.237 Base-Backbone interact. energy: -0.001 local terms energy: -61.488913 where: bonds (distance) C4'-P energy: -10.711 bonds (distance) P-C4' energy: -12.419 flat angles C4'-P-C4' energy: -12.584 flat angles P-C4'-P energy: -9.355 tors. eta vs tors. theta energy: -16.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -154.456934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.456934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.456934 (E_RNA) where: Base-Base interactions energy: -89.256 where: short stacking energy: -57.237 Base-Backbone interact. energy: 0.003 local terms energy: -65.203822 where: bonds (distance) C4'-P energy: -14.334 bonds (distance) P-C4' energy: -12.032 flat angles C4'-P-C4' energy: -14.593 flat angles P-C4'-P energy: -11.517 tors. eta vs tors. theta energy: -12.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -159.625395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.625395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.625395 (E_RNA) where: Base-Base interactions energy: -103.407 where: short stacking energy: -62.809 Base-Backbone interact. energy: -0.001 local terms energy: -56.217094 where: bonds (distance) C4'-P energy: -13.805 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -10.506 flat angles P-C4'-P energy: -1.745 tors. eta vs tors. theta energy: -15.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -142.208046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.208046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.208046 (E_RNA) where: Base-Base interactions energy: -83.345 where: short stacking energy: -48.381 Base-Backbone interact. energy: -1.027 local terms energy: -57.835519 where: bonds (distance) C4'-P energy: -9.930 bonds (distance) P-C4' energy: -14.467 flat angles C4'-P-C4' energy: -11.004 flat angles P-C4'-P energy: -10.147 tors. eta vs tors. theta energy: -12.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -147.004460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.004460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.004460 (E_RNA) where: Base-Base interactions energy: -84.347 where: short stacking energy: -54.321 Base-Backbone interact. energy: -0.120 local terms energy: -62.537291 where: bonds (distance) C4'-P energy: -10.802 bonds (distance) P-C4' energy: -14.357 flat angles C4'-P-C4' energy: -12.297 flat angles P-C4'-P energy: -11.854 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: 6, replica: 4 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -110.618340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.618340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.618340 (E_RNA) where: Base-Base interactions energy: -60.778 where: short stacking energy: -53.198 Base-Backbone interact. energy: 0.375 local terms energy: -50.215120 where: bonds (distance) C4'-P energy: -10.981 bonds (distance) P-C4' energy: -12.676 flat angles C4'-P-C4' energy: -9.966 flat angles P-C4'-P energy: -9.149 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: 7, replica: 3 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -123.477347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.477347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.477347 (E_RNA) where: Base-Base interactions energy: -68.322 where: short stacking energy: -43.776 Base-Backbone interact. energy: -0.172 local terms energy: -54.983855 where: bonds (distance) C4'-P energy: -11.995 bonds (distance) P-C4' energy: -14.300 flat angles C4'-P-C4' energy: -10.733 flat angles P-C4'-P energy: -6.708 tors. eta vs tors. theta energy: -11.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -82.653154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.653154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.653154 (E_RNA) where: Base-Base interactions energy: -34.529 where: short stacking energy: -34.529 Base-Backbone interact. energy: 3.045 local terms energy: -51.168789 where: bonds (distance) C4'-P energy: -9.956 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -14.688 flat angles P-C4'-P energy: -7.194 tors. eta vs tors. theta energy: -5.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -81.139123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.139123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.139123 (E_RNA) where: Base-Base interactions energy: -29.629 where: short stacking energy: -29.629 Base-Backbone interact. energy: 0.267 local terms energy: -51.776988 where: bonds (distance) C4'-P energy: -13.055 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -9.211 flat angles P-C4'-P energy: -10.234 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: 10, replica: 2 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -77.175027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.175027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.175027 (E_RNA) where: Base-Base interactions energy: -43.689 where: short stacking energy: -28.626 Base-Backbone interact. energy: -0.110 local terms energy: -33.375863 where: bonds (distance) C4'-P energy: -8.725 bonds (distance) P-C4' energy: -11.510 flat angles C4'-P-C4' energy: -9.938 flat angles P-C4'-P energy: -1.606 tors. eta vs tors. theta energy: -1.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -155.652496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.652496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.652496 (E_RNA) where: Base-Base interactions energy: -94.415 where: short stacking energy: -53.071 Base-Backbone interact. energy: -0.042 local terms energy: -61.195731 where: bonds (distance) C4'-P energy: -11.673 bonds (distance) P-C4' energy: -11.376 flat angles C4'-P-C4' energy: -14.650 flat angles P-C4'-P energy: -11.917 tors. eta vs tors. theta energy: -11.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -161.137148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.137148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.137148 (E_RNA) where: Base-Base interactions energy: -96.452 where: short stacking energy: -53.529 Base-Backbone interact. energy: -0.249 local terms energy: -64.436127 where: bonds (distance) C4'-P energy: -12.347 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -13.866 flat angles P-C4'-P energy: -7.956 tors. eta vs tors. theta energy: -14.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -153.597093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.597093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.597093 (E_RNA) where: Base-Base interactions energy: -90.430 where: short stacking energy: -61.205 Base-Backbone interact. energy: -0.064 local terms energy: -63.103270 where: bonds (distance) C4'-P energy: -13.494 bonds (distance) P-C4' energy: -11.507 flat angles C4'-P-C4' energy: -13.808 flat angles P-C4'-P energy: -9.772 tors. eta vs tors. theta energy: -14.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -140.589943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.589943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.589943 (E_RNA) where: Base-Base interactions energy: -83.068 where: short stacking energy: -43.091 Base-Backbone interact. energy: -0.066 local terms energy: -57.455840 where: bonds (distance) C4'-P energy: -12.826 bonds (distance) P-C4' energy: -11.992 flat angles C4'-P-C4' energy: -14.847 flat angles P-C4'-P energy: -5.285 tors. eta vs tors. theta energy: -12.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -147.727016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.727016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.727016 (E_RNA) where: Base-Base interactions energy: -86.275 where: short stacking energy: -53.881 Base-Backbone interact. energy: -0.003 local terms energy: -61.448852 where: bonds (distance) C4'-P energy: -11.714 bonds (distance) P-C4' energy: -15.455 flat angles C4'-P-C4' energy: -12.572 flat angles P-C4'-P energy: -9.780 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: 6, replica: 3 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -121.841234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.841234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.841234 (E_RNA) where: Base-Base interactions energy: -70.390 where: short stacking energy: -36.956 Base-Backbone interact. energy: -0.021 local terms energy: -51.429300 where: bonds (distance) C4'-P energy: -12.310 bonds (distance) P-C4' energy: -14.529 flat angles C4'-P-C4' energy: -11.413 flat angles P-C4'-P energy: -5.953 tors. eta vs tors. theta energy: -7.225 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: 4 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -93.088992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.088992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.088992 (E_RNA) where: Base-Base interactions energy: -44.873 where: short stacking energy: -44.873 Base-Backbone interact. energy: -0.007 local terms energy: -48.209265 where: bonds (distance) C4'-P energy: -13.511 bonds (distance) P-C4' energy: -15.153 flat angles C4'-P-C4' energy: -8.448 flat angles P-C4'-P energy: -6.663 tors. eta vs tors. theta energy: -4.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -86.608636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.608636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.608636 (E_RNA) where: Base-Base interactions energy: -37.266 where: short stacking energy: -37.266 Base-Backbone interact. energy: -0.003 local terms energy: -49.339264 where: bonds (distance) C4'-P energy: -8.749 bonds (distance) P-C4' energy: -12.807 flat angles C4'-P-C4' energy: -12.808 flat angles P-C4'-P energy: -9.823 tors. eta vs tors. theta energy: -5.153 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: 10 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -78.745540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.745540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.745540 (E_RNA) where: Base-Base interactions energy: -37.442 where: short stacking energy: -36.308 Base-Backbone interact. energy: -0.035 local terms energy: -41.268583 where: bonds (distance) C4'-P energy: -10.268 bonds (distance) P-C4' energy: -12.667 flat angles C4'-P-C4' energy: -7.912 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -5.278 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: 2 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -72.856549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.856549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.856549 (E_RNA) where: Base-Base interactions energy: -28.190 where: short stacking energy: -27.624 Base-Backbone interact. energy: -0.047 local terms energy: -44.620161 where: bonds (distance) C4'-P energy: -9.196 bonds (distance) P-C4' energy: -11.425 flat angles C4'-P-C4' energy: -9.217 flat angles P-C4'-P energy: -11.620 tors. eta vs tors. theta energy: -3.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -159.692571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.692571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.692571 (E_RNA) where: Base-Base interactions energy: -93.415 where: short stacking energy: -61.517 Base-Backbone interact. energy: -0.049 local terms energy: -66.228576 where: bonds (distance) C4'-P energy: -9.585 bonds (distance) P-C4' energy: -16.189 flat angles C4'-P-C4' energy: -14.300 flat angles P-C4'-P energy: -11.460 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: 6 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -147.634108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.634108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.634108 (E_RNA) where: Base-Base interactions energy: -88.285 where: short stacking energy: -56.107 Base-Backbone interact. energy: -0.004 local terms energy: -59.344993 where: bonds (distance) C4'-P energy: -13.800 bonds (distance) P-C4' energy: -11.666 flat angles C4'-P-C4' energy: -10.148 flat angles P-C4'-P energy: -8.277 tors. eta vs tors. theta energy: -15.454 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: 3, replica: 1 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -135.233368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.233368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.233368 (E_RNA) where: Base-Base interactions energy: -74.942 where: short stacking energy: -43.846 Base-Backbone interact. energy: -0.600 local terms energy: -59.691080 where: bonds (distance) C4'-P energy: -14.157 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -14.840 flat angles P-C4'-P energy: -9.095 tors. eta vs tors. theta energy: -7.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -131.589015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.589015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.589015 (E_RNA) where: Base-Base interactions energy: -75.317 where: short stacking energy: -48.166 Base-Backbone interact. energy: -0.018 local terms energy: -56.254043 where: bonds (distance) C4'-P energy: -11.660 bonds (distance) P-C4' energy: -12.692 flat angles C4'-P-C4' energy: -11.527 flat angles P-C4'-P energy: -10.214 tors. eta vs tors. theta energy: -10.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -127.391206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.391206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.391206 (E_RNA) where: Base-Base interactions energy: -71.903 where: short stacking energy: -43.428 Base-Backbone interact. energy: -0.189 local terms energy: -55.298462 where: bonds (distance) C4'-P energy: -11.660 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -12.580 flat angles P-C4'-P energy: -9.590 tors. eta vs tors. theta energy: -7.042 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: 6, replica: 7 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -130.678930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.678930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.678930 (E_RNA) where: Base-Base interactions energy: -76.364 where: short stacking energy: -47.307 Base-Backbone interact. energy: -0.037 local terms energy: -54.277904 where: bonds (distance) C4'-P energy: -12.284 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -14.570 flat angles P-C4'-P energy: -9.082 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: 7, replica: 9 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -79.779885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.779885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.779885 (E_RNA) where: Base-Base interactions energy: -39.456 where: short stacking energy: -39.456 Base-Backbone interact. energy: -0.093 local terms energy: -40.230258 where: bonds (distance) C4'-P energy: -7.471 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -13.942 flat angles P-C4'-P energy: -3.878 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: 8, replica: 4 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -86.900913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.900913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.900913 (E_RNA) where: Base-Base interactions energy: -43.637 where: short stacking energy: -42.170 Base-Backbone interact. energy: -0.019 local terms energy: -43.244820 where: bonds (distance) C4'-P energy: -9.500 bonds (distance) P-C4' energy: -9.877 flat angles C4'-P-C4' energy: -10.788 flat angles P-C4'-P energy: -8.101 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: 9, replica: 2 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -79.194690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.194690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.194690 (E_RNA) where: Base-Base interactions energy: -32.564 where: short stacking energy: -19.326 Base-Backbone interact. energy: -0.275 local terms energy: -46.355519 where: bonds (distance) C4'-P energy: -12.841 bonds (distance) P-C4' energy: -15.519 flat angles C4'-P-C4' energy: -10.895 flat angles P-C4'-P energy: -7.929 tors. eta vs tors. theta energy: 0.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -60.581136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.581136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.581136 (E_RNA) where: Base-Base interactions energy: -19.660 where: short stacking energy: -19.119 Base-Backbone interact. energy: 0.193 local terms energy: -41.114131 where: bonds (distance) C4'-P energy: -12.877 bonds (distance) P-C4' energy: -12.563 flat angles C4'-P-C4' energy: -8.179 flat angles P-C4'-P energy: -9.055 tors. eta vs tors. theta energy: 1.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -157.524411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.524411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.524411 (E_RNA) where: Base-Base interactions energy: -94.023 where: short stacking energy: -41.743 Base-Backbone interact. energy: -0.009 local terms energy: -63.492447 where: bonds (distance) C4'-P energy: -14.330 bonds (distance) P-C4' energy: -11.869 flat angles C4'-P-C4' energy: -14.839 flat angles P-C4'-P energy: -11.084 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: 2, replica: 1 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -148.184886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.184886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.184886 (E_RNA) where: Base-Base interactions energy: -93.480 where: short stacking energy: -59.618 Base-Backbone interact. energy: -0.150 local terms energy: -54.555153 where: bonds (distance) C4'-P energy: -11.171 bonds (distance) P-C4' energy: -12.553 flat angles C4'-P-C4' energy: -11.198 flat angles P-C4'-P energy: -7.819 tors. eta vs tors. theta energy: -11.814 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: 3, replica: 6 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -143.910586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.910586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.910586 (E_RNA) where: Base-Base interactions energy: -86.914 where: short stacking energy: -56.717 Base-Backbone interact. energy: -0.040 local terms energy: -56.956680 where: bonds (distance) C4'-P energy: -11.644 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -11.722 flat angles P-C4'-P energy: -6.833 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: 4, replica: 3 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -129.891372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.891372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.891372 (E_RNA) where: Base-Base interactions energy: -71.967 where: short stacking energy: -43.587 Base-Backbone interact. energy: -0.814 local terms energy: -57.110869 where: bonds (distance) C4'-P energy: -13.199 bonds (distance) P-C4' energy: -14.560 flat angles C4'-P-C4' energy: -11.122 flat angles P-C4'-P energy: -11.472 tors. eta vs tors. theta energy: -6.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -134.604979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.604979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.604979 (E_RNA) where: Base-Base interactions energy: -80.994 where: short stacking energy: -55.144 Base-Backbone interact. energy: -0.002 local terms energy: -53.609083 where: bonds (distance) C4'-P energy: -8.840 bonds (distance) P-C4' energy: -9.921 flat angles C4'-P-C4' energy: -10.504 flat angles P-C4'-P energy: -10.687 tors. eta vs tors. theta energy: -13.656 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: 113 Temperature: 1.150000 Total energy: -124.824569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.824569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.824569 (E_RNA) where: Base-Base interactions energy: -74.099 where: short stacking energy: -44.714 Base-Backbone interact. energy: -0.005 local terms energy: -50.720136 where: bonds (distance) C4'-P energy: -9.734 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -10.126 flat angles P-C4'-P energy: -4.885 tors. eta vs tors. theta energy: -9.980 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: 7, replica: 9 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -82.672052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.672052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.672052 (E_RNA) where: Base-Base interactions energy: -32.306 where: short stacking energy: -33.306 Base-Backbone interact. energy: -0.066 local terms energy: -50.300126 where: bonds (distance) C4'-P energy: -12.429 bonds (distance) P-C4' energy: -14.253 flat angles C4'-P-C4' energy: -11.529 flat angles P-C4'-P energy: -10.217 tors. eta vs tors. theta energy: -1.871 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: 2 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -79.510003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.510003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.510003 (E_RNA) where: Base-Base interactions energy: -32.098 where: short stacking energy: -32.098 Base-Backbone interact. energy: -0.246 local terms energy: -47.166329 where: bonds (distance) C4'-P energy: -12.136 bonds (distance) P-C4' energy: -12.222 flat angles C4'-P-C4' energy: -10.939 flat angles P-C4'-P energy: -8.135 tors. eta vs tors. theta energy: -3.735 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: 4 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -75.717305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.717305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.717305 (E_RNA) where: Base-Base interactions energy: -33.403 where: short stacking energy: -33.403 Base-Backbone interact. energy: -0.017 local terms energy: -42.297012 where: bonds (distance) C4'-P energy: -12.860 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -10.135 flat angles P-C4'-P energy: -6.867 tors. eta vs tors. theta energy: -6.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -77.679080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.679080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.679080 (E_RNA) where: Base-Base interactions energy: -35.587 where: short stacking energy: -35.587 Base-Backbone interact. energy: -0.045 local terms energy: -42.046484 where: bonds (distance) C4'-P energy: -10.560 bonds (distance) P-C4' energy: -12.109 flat angles C4'-P-C4' energy: -7.931 flat angles P-C4'-P energy: -6.556 tors. eta vs tors. theta energy: -4.890 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: 1 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -154.393142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.393142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.393142 (E_RNA) where: Base-Base interactions energy: -88.395 where: short stacking energy: -55.824 Base-Backbone interact. energy: -0.116 local terms energy: -65.881662 where: bonds (distance) C4'-P energy: -11.320 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -15.222 flat angles P-C4'-P energy: -8.208 tors. eta vs tors. theta energy: -16.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -144.495854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.495854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.495854 (E_RNA) where: Base-Base interactions energy: -83.504 where: short stacking energy: -45.679 Base-Backbone interact. energy: -0.205 local terms energy: -60.786783 where: bonds (distance) C4'-P energy: -12.129 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -11.415 flat angles P-C4'-P energy: -11.994 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: 3, replica: 6 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -143.811606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.811606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.811606 (E_RNA) where: Base-Base interactions energy: -85.136 where: short stacking energy: -45.802 Base-Backbone interact. energy: -0.127 local terms energy: -58.548737 where: bonds (distance) C4'-P energy: -15.944 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -10.606 flat angles P-C4'-P energy: -8.180 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: 4, replica: 3 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -141.299900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.299900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.299900 (E_RNA) where: Base-Base interactions energy: -83.999 where: short stacking energy: -46.312 Base-Backbone interact. energy: 0.068 local terms energy: -57.369022 where: bonds (distance) C4'-P energy: -13.188 bonds (distance) P-C4' energy: -8.509 flat angles C4'-P-C4' energy: -12.210 flat angles P-C4'-P energy: -11.196 tors. eta vs tors. theta energy: -12.266 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: 114 Temperature: 1.100000 Total energy: -127.241382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.241382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.241382 (E_RNA) where: Base-Base interactions energy: -78.253 where: short stacking energy: -50.646 Base-Backbone interact. energy: 0.500 local terms energy: -49.488401 where: bonds (distance) C4'-P energy: -7.607 bonds (distance) P-C4' energy: -11.629 flat angles C4'-P-C4' energy: -13.089 flat angles P-C4'-P energy: -5.668 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: 6, replica: 5 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -135.787000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.787000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.787000 (E_RNA) where: Base-Base interactions energy: -84.089 where: short stacking energy: -48.348 Base-Backbone interact. energy: -0.073 local terms energy: -51.624642 where: bonds (distance) C4'-P energy: -13.445 bonds (distance) P-C4' energy: -13.535 flat angles C4'-P-C4' energy: -10.587 flat angles P-C4'-P energy: -3.855 tors. eta vs tors. theta energy: -10.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -83.462556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.462556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.462556 (E_RNA) where: Base-Base interactions energy: -35.338 where: short stacking energy: -35.338 Base-Backbone interact. energy: -0.556 local terms energy: -47.568707 where: bonds (distance) C4'-P energy: -12.492 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -12.266 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: -5.306 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: 2 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -82.039692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.039692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.039692 (E_RNA) where: Base-Base interactions energy: -36.698 where: short stacking energy: -34.267 Base-Backbone interact. energy: 0.518 local terms energy: -45.859083 where: bonds (distance) C4'-P energy: -6.740 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -13.111 flat angles P-C4'-P energy: -5.829 tors. eta vs tors. theta energy: -5.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -80.879120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.879120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.879120 (E_RNA) where: Base-Base interactions energy: -38.914 where: short stacking energy: -36.971 Base-Backbone interact. energy: -0.212 local terms energy: -41.753731 where: bonds (distance) C4'-P energy: -8.042 bonds (distance) P-C4' energy: -12.483 flat angles C4'-P-C4' energy: -7.638 flat angles P-C4'-P energy: -8.722 tors. eta vs tors. theta energy: -4.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -83.155618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.155618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.155618 (E_RNA) where: Base-Base interactions energy: -40.375 where: short stacking energy: -35.537 Base-Backbone interact. energy: -0.149 local terms energy: -42.631719 where: bonds (distance) C4'-P energy: -6.571 bonds (distance) P-C4' energy: -11.096 flat angles C4'-P-C4' energy: -15.022 flat angles P-C4'-P energy: -1.840 tors. eta vs tors. theta energy: -8.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -158.570192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.570192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.570192 (E_RNA) where: Base-Base interactions energy: -96.568 where: short stacking energy: -63.694 Base-Backbone interact. energy: -0.095 local terms energy: -61.906824 where: bonds (distance) C4'-P energy: -12.301 bonds (distance) P-C4' energy: -14.826 flat angles C4'-P-C4' energy: -14.573 flat angles P-C4'-P energy: -6.358 tors. eta vs tors. theta energy: -13.848 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: 2, replica: 6 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -156.878331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.878331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.878331 (E_RNA) where: Base-Base interactions energy: -89.761 where: short stacking energy: -57.498 Base-Backbone interact. energy: -0.587 local terms energy: -66.529621 where: bonds (distance) C4'-P energy: -13.001 bonds (distance) P-C4' energy: -14.796 flat angles C4'-P-C4' energy: -13.598 flat angles P-C4'-P energy: -8.714 tors. eta vs tors. theta energy: -16.421 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: 8 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -137.459188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.459188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.459188 (E_RNA) where: Base-Base interactions energy: -80.665 where: short stacking energy: -50.490 Base-Backbone interact. energy: 0.048 local terms energy: -56.842377 where: bonds (distance) C4'-P energy: -9.177 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -15.026 flat angles P-C4'-P energy: -10.815 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: 4, replica: 3 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -140.855743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.855743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.855743 (E_RNA) where: Base-Base interactions energy: -83.891 where: short stacking energy: -54.089 Base-Backbone interact. energy: -0.000 local terms energy: -56.964781 where: bonds (distance) C4'-P energy: -13.850 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -14.452 flat angles P-C4'-P energy: -5.971 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: 5, replica: 7 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -133.147648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.147648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.147648 (E_RNA) where: Base-Base interactions energy: -78.375 where: short stacking energy: -47.478 Base-Backbone interact. energy: -0.105 local terms energy: -54.667677 where: bonds (distance) C4'-P energy: -9.610 bonds (distance) P-C4' energy: -14.529 flat angles C4'-P-C4' energy: -13.870 flat angles P-C4'-P energy: -10.391 tors. eta vs tors. theta energy: -6.266 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: 5 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -119.133749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.133749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.133749 (E_RNA) where: Base-Base interactions energy: -64.217 where: short stacking energy: -40.900 Base-Backbone interact. energy: -0.017 local terms energy: -54.899978 where: bonds (distance) C4'-P energy: -13.571 bonds (distance) P-C4' energy: -14.793 flat angles C4'-P-C4' energy: -13.240 flat angles P-C4'-P energy: -5.698 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: 7, replica: 9 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -93.040376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.040376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.040376 (E_RNA) where: Base-Base interactions energy: -41.860 where: short stacking energy: -38.066 Base-Backbone interact. energy: -0.056 local terms energy: -51.123885 where: bonds (distance) C4'-P energy: -5.805 bonds (distance) P-C4' energy: -14.306 flat angles C4'-P-C4' energy: -14.373 flat angles P-C4'-P energy: -10.954 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: 8, replica: 10 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -79.332396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.332396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.332396 (E_RNA) where: Base-Base interactions energy: -36.386 where: short stacking energy: -28.719 Base-Backbone interact. energy: -1.089 local terms energy: -41.857581 where: bonds (distance) C4'-P energy: -9.955 bonds (distance) P-C4' energy: -13.020 flat angles C4'-P-C4' energy: -9.789 flat angles P-C4'-P energy: -8.465 tors. eta vs tors. theta energy: -0.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -78.197653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.197653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.197653 (E_RNA) where: Base-Base interactions energy: -33.227 where: short stacking energy: -33.227 Base-Backbone interact. energy: -0.012 local terms energy: -44.958360 where: bonds (distance) C4'-P energy: -9.959 bonds (distance) P-C4' energy: -12.373 flat angles C4'-P-C4' energy: -9.169 flat angles P-C4'-P energy: -8.578 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: 4 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -83.770965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.770965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.770965 (E_RNA) where: Base-Base interactions energy: -38.182 where: short stacking energy: -33.504 Base-Backbone interact. energy: -0.017 local terms energy: -45.572527 where: bonds (distance) C4'-P energy: -12.695 bonds (distance) P-C4' energy: -12.458 flat angles C4'-P-C4' energy: -11.071 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -4.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -164.166942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.166942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.166942 (E_RNA) where: Base-Base interactions energy: -98.805 where: short stacking energy: -67.120 Base-Backbone interact. energy: -0.001 local terms energy: -65.361382 where: bonds (distance) C4'-P energy: -12.462 bonds (distance) P-C4' energy: -13.863 flat angles C4'-P-C4' energy: -13.167 flat angles P-C4'-P energy: -8.742 tors. eta vs tors. theta energy: -17.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -144.018048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.018048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.018048 (E_RNA) where: Base-Base interactions energy: -82.486 where: short stacking energy: -54.916 Base-Backbone interact. energy: -1.737 local terms energy: -59.795622 where: bonds (distance) C4'-P energy: -12.042 bonds (distance) P-C4' energy: -12.620 flat angles C4'-P-C4' energy: -12.051 flat angles P-C4'-P energy: -12.388 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: 3, replica: 8 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -131.464904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.464904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.464904 (E_RNA) where: Base-Base interactions energy: -71.166 where: short stacking energy: -51.996 Base-Backbone interact. energy: -0.003 local terms energy: -60.296465 where: bonds (distance) C4'-P energy: -11.979 bonds (distance) P-C4' energy: -15.040 flat angles C4'-P-C4' energy: -15.183 flat angles P-C4'-P energy: -10.024 tors. eta vs tors. theta energy: -8.071 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: 3 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -142.869735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.869735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.869735 (E_RNA) where: Base-Base interactions energy: -86.618 where: short stacking energy: -55.481 Base-Backbone interact. energy: -0.009 local terms energy: -56.243620 where: bonds (distance) C4'-P energy: -9.114 bonds (distance) P-C4' energy: -12.429 flat angles C4'-P-C4' energy: -14.469 flat angles P-C4'-P energy: -6.849 tors. eta vs tors. theta energy: -13.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -147.862774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.862774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.862774 (E_RNA) where: Base-Base interactions energy: -91.938 where: short stacking energy: -53.145 Base-Backbone interact. energy: -0.048 local terms energy: -55.876008 where: bonds (distance) C4'-P energy: -11.064 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -14.427 flat angles P-C4'-P energy: -7.663 tors. eta vs tors. theta energy: -9.486 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: 116 Temperature: 1.150000 Total energy: -133.951251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.951251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.951251 (E_RNA) where: Base-Base interactions energy: -77.702 where: short stacking energy: -47.709 Base-Backbone interact. energy: -0.002 local terms energy: -56.246969 where: bonds (distance) C4'-P energy: -13.655 bonds (distance) P-C4' energy: -10.559 flat angles C4'-P-C4' energy: -11.327 flat angles P-C4'-P energy: -10.672 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: 10 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -89.827435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.827435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.827435 (E_RNA) where: Base-Base interactions energy: -39.691 where: short stacking energy: -39.691 Base-Backbone interact. energy: -0.842 local terms energy: -49.294571 where: bonds (distance) C4'-P energy: -6.078 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -14.810 flat angles P-C4'-P energy: -5.756 tors. eta vs tors. theta energy: -8.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -76.661927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.661927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.661927 (E_RNA) where: Base-Base interactions energy: -35.759 where: short stacking energy: -33.622 Base-Backbone interact. energy: -0.825 local terms energy: -40.077531 where: bonds (distance) C4'-P energy: -12.901 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -10.787 flat angles P-C4'-P energy: -5.099 tors. eta vs tors. theta energy: -2.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -75.054109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.054109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.054109 (E_RNA) where: Base-Base interactions energy: -26.223 where: short stacking energy: -26.223 Base-Backbone interact. energy: -0.021 local terms energy: -48.810024 where: bonds (distance) C4'-P energy: -10.766 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -15.042 flat angles P-C4'-P energy: -7.526 tors. eta vs tors. theta energy: -2.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -74.750864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.750864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.750864 (E_RNA) where: Base-Base interactions energy: -35.457 where: short stacking energy: -33.696 Base-Backbone interact. energy: -0.135 local terms energy: -39.159371 where: bonds (distance) C4'-P energy: -8.083 bonds (distance) P-C4' energy: -12.416 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -7.549 tors. eta vs tors. theta energy: -5.469 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: 117 Temperature: 0.900000 Total energy: -163.154986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.154986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.154986 (E_RNA) where: Base-Base interactions energy: -96.514 where: short stacking energy: -59.684 Base-Backbone interact. energy: -0.180 local terms energy: -66.460609 where: bonds (distance) C4'-P energy: -13.155 bonds (distance) P-C4' energy: -16.038 flat angles C4'-P-C4' energy: -12.555 flat angles P-C4'-P energy: -9.051 tors. eta vs tors. theta energy: -15.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -126.854776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.854776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.854776 (E_RNA) where: Base-Base interactions energy: -61.311 where: short stacking energy: -61.311 Base-Backbone interact. energy: -0.007 local terms energy: -65.537133 where: bonds (distance) C4'-P energy: -13.622 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -13.707 flat angles P-C4'-P energy: -9.556 tors. eta vs tors. theta energy: -14.024 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: 1 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -141.788395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.788395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.788395 (E_RNA) where: Base-Base interactions energy: -84.327 where: short stacking energy: -46.212 Base-Backbone interact. energy: -0.014 local terms energy: -57.448174 where: bonds (distance) C4'-P energy: -14.902 bonds (distance) P-C4' energy: -13.875 flat angles C4'-P-C4' energy: -11.564 flat angles P-C4'-P energy: -8.597 tors. eta vs tors. theta energy: -8.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -143.679697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.679697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.679697 (E_RNA) where: Base-Base interactions energy: -84.458 where: short stacking energy: -53.010 Base-Backbone interact. energy: -0.081 local terms energy: -59.141148 where: bonds (distance) C4'-P energy: -12.218 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -12.914 flat angles P-C4'-P energy: -6.795 tors. eta vs tors. theta energy: -13.033 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: 3 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -124.341005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.341005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.341005 (E_RNA) where: Base-Base interactions energy: -71.150 where: short stacking energy: -45.929 Base-Backbone interact. energy: -0.547 local terms energy: -52.643682 where: bonds (distance) C4'-P energy: -14.297 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -7.290 flat angles P-C4'-P energy: -8.164 tors. eta vs tors. theta energy: -7.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -107.555275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.555275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.555275 (E_RNA) where: Base-Base interactions energy: -60.341 where: short stacking energy: -45.898 Base-Backbone interact. energy: -1.213 local terms energy: -46.001403 where: bonds (distance) C4'-P energy: -14.379 bonds (distance) P-C4' energy: -11.514 flat angles C4'-P-C4' energy: -9.415 flat angles P-C4'-P energy: -7.053 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: 7, replica: 7 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -95.583055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.583055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.583055 (E_RNA) where: Base-Base interactions energy: -40.604 where: short stacking energy: -32.222 Base-Backbone interact. energy: -0.033 local terms energy: -54.945340 where: bonds (distance) C4'-P energy: -12.533 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -11.049 flat angles P-C4'-P energy: -8.868 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: 8, replica: 4 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -94.339961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.339961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.339961 (E_RNA) where: Base-Base interactions energy: -43.141 where: short stacking energy: -42.926 Base-Backbone interact. energy: -0.130 local terms energy: -51.069192 where: bonds (distance) C4'-P energy: -12.993 bonds (distance) P-C4' energy: -12.507 flat angles C4'-P-C4' energy: -12.960 flat angles P-C4'-P energy: -4.537 tors. eta vs tors. theta energy: -8.071 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: 117 Temperature: 1.300000 Total energy: -81.154027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.154027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.154027 (E_RNA) where: Base-Base interactions energy: -32.108 where: short stacking energy: -26.289 Base-Backbone interact. energy: -1.059 local terms energy: -47.986994 where: bonds (distance) C4'-P energy: -10.864 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -15.149 flat angles P-C4'-P energy: -8.078 tors. eta vs tors. theta energy: 0.940 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: 2 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -75.295021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.295021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.295021 (E_RNA) where: Base-Base interactions energy: -37.581 where: short stacking energy: -35.044 Base-Backbone interact. energy: -0.067 local terms energy: -37.647533 where: bonds (distance) C4'-P energy: -7.902 bonds (distance) P-C4' energy: -12.434 flat angles C4'-P-C4' energy: -10.329 flat angles P-C4'-P energy: -4.637 tors. eta vs tors. theta energy: -2.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -158.091617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.091617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.091617 (E_RNA) where: Base-Base interactions energy: -101.618 where: short stacking energy: -68.304 Base-Backbone interact. energy: -0.043 local terms energy: -56.430211 where: bonds (distance) C4'-P energy: -12.368 bonds (distance) P-C4' energy: -13.096 flat angles C4'-P-C4' energy: -11.703 flat angles P-C4'-P energy: -8.497 tors. eta vs tors. theta energy: -10.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -134.683233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.683233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.683233 (E_RNA) where: Base-Base interactions energy: -69.577 where: short stacking energy: -69.577 Base-Backbone interact. energy: -0.000 local terms energy: -65.106189 where: bonds (distance) C4'-P energy: -11.374 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -12.505 flat angles P-C4'-P energy: -9.062 tors. eta vs tors. theta energy: -18.133 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: 3, replica: 5 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -142.336190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.336190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.336190 (E_RNA) where: Base-Base interactions energy: -82.361 where: short stacking energy: -50.192 Base-Backbone interact. energy: -0.096 local terms energy: -59.878882 where: bonds (distance) C4'-P energy: -11.029 bonds (distance) P-C4' energy: -15.939 flat angles C4'-P-C4' energy: -15.050 flat angles P-C4'-P energy: -6.185 tors. eta vs tors. theta energy: -11.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -140.918740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.918740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.918740 (E_RNA) where: Base-Base interactions energy: -85.680 where: short stacking energy: -52.000 Base-Backbone interact. energy: -0.016 local terms energy: -55.222859 where: bonds (distance) C4'-P energy: -11.483 bonds (distance) P-C4' energy: -14.504 flat angles C4'-P-C4' energy: -9.175 flat angles P-C4'-P energy: -9.162 tors. eta vs tors. theta energy: -10.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -124.553756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.553756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.553756 (E_RNA) where: Base-Base interactions energy: -75.341 where: short stacking energy: -40.071 Base-Backbone interact. energy: -0.502 local terms energy: -48.710529 where: bonds (distance) C4'-P energy: -11.999 bonds (distance) P-C4' energy: -11.394 flat angles C4'-P-C4' energy: -11.225 flat angles P-C4'-P energy: -5.890 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: 6, replica: 10 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -95.829114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.829114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.829114 (E_RNA) where: Base-Base interactions energy: -55.206 where: short stacking energy: -41.140 Base-Backbone interact. energy: -0.629 local terms energy: -39.994104 where: bonds (distance) C4'-P energy: -11.089 bonds (distance) P-C4' energy: -10.082 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -7.287 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: 7, replica: 4 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -88.275020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.275020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.275020 (E_RNA) where: Base-Base interactions energy: -33.958 where: short stacking energy: -31.681 Base-Backbone interact. energy: 0.329 local terms energy: -54.645860 where: bonds (distance) C4'-P energy: -12.905 bonds (distance) P-C4' energy: -15.445 flat angles C4'-P-C4' energy: -11.730 flat angles P-C4'-P energy: -6.833 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: 8, replica: 7 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -83.948749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.948749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.948749 (E_RNA) where: Base-Base interactions energy: -38.884 where: short stacking energy: -30.082 Base-Backbone interact. energy: -1.318 local terms energy: -43.747091 where: bonds (distance) C4'-P energy: -10.985 bonds (distance) P-C4' energy: -10.510 flat angles C4'-P-C4' energy: -14.211 flat angles P-C4'-P energy: -6.333 tors. eta vs tors. theta energy: -1.708 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: 2 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -76.545241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.545241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.545241 (E_RNA) where: Base-Base interactions energy: -28.787 where: short stacking energy: -23.490 Base-Backbone interact. energy: -0.055 local terms energy: -47.703156 where: bonds (distance) C4'-P energy: -11.038 bonds (distance) P-C4' energy: -9.605 flat angles C4'-P-C4' energy: -14.517 flat angles P-C4'-P energy: -11.209 tors. eta vs tors. theta energy: -1.334 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: 9 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -73.676079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.676079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.676079 (E_RNA) where: Base-Base interactions energy: -31.366 where: short stacking energy: -29.161 Base-Backbone interact. energy: -0.641 local terms energy: -41.669058 where: bonds (distance) C4'-P energy: -10.608 bonds (distance) P-C4' energy: -10.948 flat angles C4'-P-C4' energy: -9.596 flat angles P-C4'-P energy: -8.248 tors. eta vs tors. theta energy: -2.269 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: 6 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -165.692045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.692045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.692045 (E_RNA) where: Base-Base interactions energy: -100.339 where: short stacking energy: -62.614 Base-Backbone interact. energy: -0.005 local terms energy: -65.347667 where: bonds (distance) C4'-P energy: -12.106 bonds (distance) P-C4' energy: -12.771 flat angles C4'-P-C4' energy: -12.566 flat angles P-C4'-P energy: -12.311 tors. eta vs tors. theta energy: -15.594 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: 2, replica: 8 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -133.630169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.630169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.630169 (E_RNA) where: Base-Base interactions energy: -66.746 where: short stacking energy: -61.394 Base-Backbone interact. energy: -0.366 local terms energy: -66.517932 where: bonds (distance) C4'-P energy: -9.779 bonds (distance) P-C4' energy: -16.186 flat angles C4'-P-C4' energy: -15.950 flat angles P-C4'-P energy: -11.363 tors. eta vs tors. theta energy: -13.240 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: 3, replica: 5 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -133.456190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.456190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.456190 (E_RNA) where: Base-Base interactions energy: -82.074 where: short stacking energy: -49.141 Base-Backbone interact. energy: -0.004 local terms energy: -51.379005 where: bonds (distance) C4'-P energy: -10.124 bonds (distance) P-C4' energy: -14.180 flat angles C4'-P-C4' energy: -10.191 flat angles P-C4'-P energy: -6.272 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: 4, replica: 3 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -138.757425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.757425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.757425 (E_RNA) where: Base-Base interactions energy: -86.008 where: short stacking energy: -58.032 Base-Backbone interact. energy: -0.352 local terms energy: -52.397180 where: bonds (distance) C4'-P energy: -10.153 bonds (distance) P-C4' energy: -16.482 flat angles C4'-P-C4' energy: -10.681 flat angles P-C4'-P energy: -4.570 tors. eta vs tors. theta energy: -10.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -137.077048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.077048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.077048 (E_RNA) where: Base-Base interactions energy: -79.138 where: short stacking energy: -51.518 Base-Backbone interact. energy: -0.054 local terms energy: -57.884667 where: bonds (distance) C4'-P energy: -13.618 bonds (distance) P-C4' energy: -13.895 flat angles C4'-P-C4' energy: -10.912 flat angles P-C4'-P energy: -10.456 tors. eta vs tors. theta energy: -9.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -97.128436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.128436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.128436 (E_RNA) where: Base-Base interactions energy: -40.488 where: short stacking energy: -39.461 Base-Backbone interact. energy: -0.140 local terms energy: -56.499872 where: bonds (distance) C4'-P energy: -13.986 bonds (distance) P-C4' energy: -14.037 flat angles C4'-P-C4' energy: -10.956 flat angles P-C4'-P energy: -11.313 tors. eta vs tors. theta energy: -6.207 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: 10 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -77.064657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.064657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.064657 (E_RNA) where: Base-Base interactions energy: -24.800 where: short stacking energy: -23.638 Base-Backbone interact. energy: -0.061 local terms energy: -52.203924 where: bonds (distance) C4'-P energy: -10.736 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -11.937 flat angles P-C4'-P energy: -12.185 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: 8, replica: 2 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -78.949650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.949650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.949650 (E_RNA) where: Base-Base interactions energy: -29.843 where: short stacking energy: -29.843 Base-Backbone interact. energy: -0.037 local terms energy: -49.069514 where: bonds (distance) C4'-P energy: -13.796 bonds (distance) P-C4' energy: -11.503 flat angles C4'-P-C4' energy: -9.267 flat angles P-C4'-P energy: -5.583 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: 9, replica: 7 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -74.552644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.552644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.552644 (E_RNA) where: Base-Base interactions energy: -39.666 where: short stacking energy: -21.435 Base-Backbone interact. energy: -0.168 local terms energy: -34.718703 where: bonds (distance) C4'-P energy: -12.799 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -14.436 flat angles P-C4'-P energy: -1.405 tors. eta vs tors. theta energy: 0.279 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: 9 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -82.182719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.182719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.182719 (E_RNA) where: Base-Base interactions energy: -37.413 where: short stacking energy: -25.986 Base-Backbone interact. energy: -0.198 local terms energy: -44.571733 where: bonds (distance) C4'-P energy: -8.692 bonds (distance) P-C4' energy: -16.450 flat angles C4'-P-C4' energy: -11.838 flat angles P-C4'-P energy: -6.516 tors. eta vs tors. theta energy: -1.076 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: 8 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -133.353585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.353585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.353585 (E_RNA) where: Base-Base interactions energy: -81.617 where: short stacking energy: -61.561 Base-Backbone interact. energy: -0.025 local terms energy: -51.711436 where: bonds (distance) C4'-P energy: -10.270 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -7.561 flat angles P-C4'-P energy: -8.266 tors. eta vs tors. theta energy: -11.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -151.238706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.238706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.238706 (E_RNA) where: Base-Base interactions energy: -90.899 where: short stacking energy: -61.306 Base-Backbone interact. energy: -0.204 local terms energy: -60.135965 where: bonds (distance) C4'-P energy: -11.739 bonds (distance) P-C4' energy: -12.272 flat angles C4'-P-C4' energy: -15.299 flat angles P-C4'-P energy: -7.882 tors. eta vs tors. theta energy: -12.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -141.212178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.212178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.212178 (E_RNA) where: Base-Base interactions energy: -80.396 where: short stacking energy: -43.565 Base-Backbone interact. energy: -0.154 local terms energy: -60.662164 where: bonds (distance) C4'-P energy: -15.837 bonds (distance) P-C4' energy: -13.043 flat angles C4'-P-C4' energy: -14.326 flat angles P-C4'-P energy: -7.515 tors. eta vs tors. theta energy: -9.942 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: 5 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -140.893608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.893608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.893608 (E_RNA) where: Base-Base interactions energy: -90.879 where: short stacking energy: -61.000 Base-Backbone interact. energy: 2.130 local terms energy: -52.144067 where: bonds (distance) C4'-P energy: -7.404 bonds (distance) P-C4' energy: -11.337 flat angles C4'-P-C4' energy: -8.825 flat angles P-C4'-P energy: -11.272 tors. eta vs tors. theta energy: -13.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -101.531038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.531038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.531038 (E_RNA) where: Base-Base interactions energy: -42.261 where: short stacking energy: -42.261 Base-Backbone interact. energy: -0.917 local terms energy: -58.353473 where: bonds (distance) C4'-P energy: -11.626 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -12.825 flat angles P-C4'-P energy: -8.463 tors. eta vs tors. theta energy: -12.370 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: 1 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -119.297270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.297270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.297270 (E_RNA) where: Base-Base interactions energy: -69.338 where: short stacking energy: -37.350 Base-Backbone interact. energy: -0.042 local terms energy: -49.917277 where: bonds (distance) C4'-P energy: -11.038 bonds (distance) P-C4' energy: -12.143 flat angles C4'-P-C4' energy: -10.737 flat angles P-C4'-P energy: -11.064 tors. eta vs tors. theta energy: -4.935 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: 2 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -78.912489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.912489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.912489 (E_RNA) where: Base-Base interactions energy: -33.968 where: short stacking energy: -28.788 Base-Backbone interact. energy: -0.174 local terms energy: -44.770825 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -13.346 flat angles C4'-P-C4' energy: -14.467 flat angles P-C4'-P energy: -6.265 tors. eta vs tors. theta energy: -2.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -74.952728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.952728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.952728 (E_RNA) where: Base-Base interactions energy: -30.593 where: short stacking energy: -30.209 Base-Backbone interact. energy: -0.090 local terms energy: -44.270231 where: bonds (distance) C4'-P energy: -11.599 bonds (distance) P-C4' energy: -14.308 flat angles C4'-P-C4' energy: -9.058 flat angles P-C4'-P energy: -9.708 tors. eta vs tors. theta energy: 0.402 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: 120 Temperature: 1.300000 Total energy: -102.809565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.809565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.809565 (E_RNA) where: Base-Base interactions energy: -48.572 where: short stacking energy: -35.396 Base-Backbone interact. energy: 0.988 local terms energy: -55.225397 where: bonds (distance) C4'-P energy: -11.971 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -13.855 flat angles P-C4'-P energy: -8.003 tors. eta vs tors. theta energy: -7.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -74.203363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.203363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.203363 (E_RNA) where: Base-Base interactions energy: -29.910 where: short stacking energy: -15.140 Base-Backbone interact. energy: -0.587 local terms energy: -43.706019 where: bonds (distance) C4'-P energy: -10.605 bonds (distance) P-C4' energy: -14.124 flat angles C4'-P-C4' energy: -14.007 flat angles P-C4'-P energy: -3.801 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: 1, replica: 8 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -133.531602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.531602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.531602 (E_RNA) where: Base-Base interactions energy: -74.174 where: short stacking energy: -59.647 Base-Backbone interact. energy: -0.132 local terms energy: -59.225676 where: bonds (distance) C4'-P energy: -12.959 bonds (distance) P-C4' energy: -11.479 flat angles C4'-P-C4' energy: -13.144 flat angles P-C4'-P energy: -8.384 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: 6 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -145.741575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.741575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.741575 (E_RNA) where: Base-Base interactions energy: -91.540 where: short stacking energy: -62.499 Base-Backbone interact. energy: -0.002 local terms energy: -54.199966 where: bonds (distance) C4'-P energy: -12.433 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -9.223 flat angles P-C4'-P energy: -7.146 tors. eta vs tors. theta energy: -10.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -144.880213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.880213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.880213 (E_RNA) where: Base-Base interactions energy: -86.220 where: short stacking energy: -53.960 Base-Backbone interact. energy: -0.003 local terms energy: -58.656952 where: bonds (distance) C4'-P energy: -11.742 bonds (distance) P-C4' energy: -10.831 flat angles C4'-P-C4' energy: -13.354 flat angles P-C4'-P energy: -9.925 tors. eta vs tors. theta energy: -12.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -137.626447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.626447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.626447 (E_RNA) where: Base-Base interactions energy: -81.246 where: short stacking energy: -47.340 Base-Backbone interact. energy: -0.035 local terms energy: -56.345940 where: bonds (distance) C4'-P energy: -14.422 bonds (distance) P-C4' energy: -8.845 flat angles C4'-P-C4' energy: -13.503 flat angles P-C4'-P energy: -7.670 tors. eta vs tors. theta energy: -11.906 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: 4 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -103.296197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.296197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.296197 (E_RNA) where: Base-Base interactions energy: -46.237 where: short stacking energy: -46.237 Base-Backbone interact. energy: -0.102 local terms energy: -56.957154 where: bonds (distance) C4'-P energy: -8.802 bonds (distance) P-C4' energy: -14.132 flat angles C4'-P-C4' energy: -9.728 flat angles P-C4'-P energy: -9.887 tors. eta vs tors. theta energy: -14.408 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: 6, replica: 2 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -124.799609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.799609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.799609 (E_RNA) where: Base-Base interactions energy: -77.946 where: short stacking energy: -50.695 Base-Backbone interact. energy: -0.126 local terms energy: -46.727894 where: bonds (distance) C4'-P energy: -11.440 bonds (distance) P-C4' energy: -10.858 flat angles C4'-P-C4' energy: -12.476 flat angles P-C4'-P energy: -5.543 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: 1 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -122.833721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.833721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.833721 (E_RNA) where: Base-Base interactions energy: -70.216 where: short stacking energy: -44.599 Base-Backbone interact. energy: -0.002 local terms energy: -52.615067 where: bonds (distance) C4'-P energy: -11.210 bonds (distance) P-C4' energy: -12.203 flat angles C4'-P-C4' energy: -12.980 flat angles P-C4'-P energy: -8.261 tors. eta vs tors. theta energy: -7.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -78.963054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.963054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.963054 (E_RNA) where: Base-Base interactions energy: -35.718 where: short stacking energy: -35.372 Base-Backbone interact. energy: -0.012 local terms energy: -43.233046 where: bonds (distance) C4'-P energy: -7.868 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -11.145 flat angles P-C4'-P energy: -6.837 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: 10 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -81.238681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.238681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.238681 (E_RNA) where: Base-Base interactions energy: -43.260 where: short stacking energy: -41.720 Base-Backbone interact. energy: 0.101 local terms energy: -38.079723 where: bonds (distance) C4'-P energy: -5.437 bonds (distance) P-C4' energy: -12.622 flat angles C4'-P-C4' energy: -9.508 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: -6.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -78.539876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.539876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.539876 (E_RNA) where: Base-Base interactions energy: -32.461 where: short stacking energy: -24.844 Base-Backbone interact. energy: 0.339 local terms energy: -46.417173 where: bonds (distance) C4'-P energy: -8.096 bonds (distance) P-C4' energy: -13.482 flat angles C4'-P-C4' energy: -11.578 flat angles P-C4'-P energy: -9.120 tors. eta vs tors. theta energy: -4.141 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: 6 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -144.852737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.852737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.852737 (E_RNA) where: Base-Base interactions energy: -85.912 where: short stacking energy: -50.532 Base-Backbone interact. energy: -1.365 local terms energy: -57.576071 where: bonds (distance) C4'-P energy: -12.244 bonds (distance) P-C4' energy: -15.087 flat angles C4'-P-C4' energy: -13.857 flat angles P-C4'-P energy: -5.158 tors. eta vs tors. theta energy: -11.231 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: 8 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -129.691860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.691860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.691860 (E_RNA) where: Base-Base interactions energy: -64.534 where: short stacking energy: -58.475 Base-Backbone interact. energy: -0.641 local terms energy: -64.516266 where: bonds (distance) C4'-P energy: -13.639 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -10.999 flat angles P-C4'-P energy: -9.871 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: 3, replica: 3 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -140.861651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.861651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.861651 (E_RNA) where: Base-Base interactions energy: -82.020 where: short stacking energy: -52.356 Base-Backbone interact. energy: 0.038 local terms energy: -58.880301 where: bonds (distance) C4'-P energy: -11.475 bonds (distance) P-C4' energy: -14.173 flat angles C4'-P-C4' energy: -12.585 flat angles P-C4'-P energy: -9.983 tors. eta vs tors. theta energy: -10.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -123.903401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.903401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.903401 (E_RNA) where: Base-Base interactions energy: -70.699 where: short stacking energy: -43.251 Base-Backbone interact. energy: -0.028 local terms energy: -53.176912 where: bonds (distance) C4'-P energy: -13.420 bonds (distance) P-C4' energy: -12.161 flat angles C4'-P-C4' energy: -11.223 flat angles P-C4'-P energy: -10.144 tors. eta vs tors. theta energy: -6.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -131.410347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.410347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.410347 (E_RNA) where: Base-Base interactions energy: -70.999 where: short stacking energy: -41.697 Base-Backbone interact. energy: -0.019 local terms energy: -60.392305 where: bonds (distance) C4'-P energy: -13.135 bonds (distance) P-C4' energy: -14.616 flat angles C4'-P-C4' energy: -11.610 flat angles P-C4'-P energy: -11.412 tors. eta vs tors. theta energy: -9.620 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: 4 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -102.168883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.168883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.168883 (E_RNA) where: Base-Base interactions energy: -50.659 where: short stacking energy: -47.834 Base-Backbone interact. energy: -0.159 local terms energy: -51.350217 where: bonds (distance) C4'-P energy: -11.945 bonds (distance) P-C4' energy: -12.476 flat angles C4'-P-C4' energy: -12.711 flat angles P-C4'-P energy: -5.710 tors. eta vs tors. theta energy: -8.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -112.162420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.162420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.162420 (E_RNA) where: Base-Base interactions energy: -71.445 where: short stacking energy: -45.924 Base-Backbone interact. energy: -0.006 local terms energy: -40.711500 where: bonds (distance) C4'-P energy: -10.881 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -10.707 flat angles P-C4'-P energy: -4.067 tors. eta vs tors. theta energy: -8.170 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: 9 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -88.978639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.978639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.978639 (E_RNA) where: Base-Base interactions energy: -48.414 where: short stacking energy: -44.653 Base-Backbone interact. energy: -0.168 local terms energy: -40.396992 where: bonds (distance) C4'-P energy: -2.345 bonds (distance) P-C4' energy: -11.691 flat angles C4'-P-C4' energy: -7.468 flat angles P-C4'-P energy: -11.183 tors. eta vs tors. theta energy: -7.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -115.316144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.316144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.316144 (E_RNA) where: Base-Base interactions energy: -67.032 where: short stacking energy: -43.919 Base-Backbone interact. energy: -0.043 local terms energy: -48.240587 where: bonds (distance) C4'-P energy: -7.607 bonds (distance) P-C4' energy: -12.489 flat angles C4'-P-C4' energy: -13.531 flat angles P-C4'-P energy: -6.432 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: 10, replica: 10 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -68.963605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.963605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.963605 (E_RNA) where: Base-Base interactions energy: -29.397 where: short stacking energy: -29.397 Base-Backbone interact. energy: -0.006 local terms energy: -39.560809 where: bonds (distance) C4'-P energy: -8.736 bonds (distance) P-C4' energy: -10.269 flat angles C4'-P-C4' energy: -13.043 flat angles P-C4'-P energy: -7.819 tors. eta vs tors. theta energy: 0.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -151.245973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.245973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.245973 (E_RNA) where: Base-Base interactions energy: -93.386 where: short stacking energy: -59.931 Base-Backbone interact. energy: -0.018 local terms energy: -57.841908 where: bonds (distance) C4'-P energy: -13.887 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -11.953 flat angles P-C4'-P energy: -6.330 tors. eta vs tors. theta energy: -12.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -125.327501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.327501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.327501 (E_RNA) where: Base-Base interactions energy: -60.174 where: short stacking energy: -54.290 Base-Backbone interact. energy: -0.123 local terms energy: -65.031081 where: bonds (distance) C4'-P energy: -14.334 bonds (distance) P-C4' energy: -15.090 flat angles C4'-P-C4' energy: -13.123 flat angles P-C4'-P energy: -10.347 tors. eta vs tors. theta energy: -12.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -140.950065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.950065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.950065 (E_RNA) where: Base-Base interactions energy: -82.575 where: short stacking energy: -54.938 Base-Backbone interact. energy: 1.043 local terms energy: -59.417681 where: bonds (distance) C4'-P energy: -12.619 bonds (distance) P-C4' energy: -12.694 flat angles C4'-P-C4' energy: -14.504 flat angles P-C4'-P energy: -7.704 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: 4, replica: 2 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -142.540834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.540834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.540834 (E_RNA) where: Base-Base interactions energy: -91.035 where: short stacking energy: -56.952 Base-Backbone interact. energy: -0.006 local terms energy: -51.500320 where: bonds (distance) C4'-P energy: -13.845 bonds (distance) P-C4' energy: -10.988 flat angles C4'-P-C4' energy: -11.146 flat angles P-C4'-P energy: -5.415 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: 5, replica: 5 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -140.403251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.403251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.403251 (E_RNA) where: Base-Base interactions energy: -85.531 where: short stacking energy: -49.684 Base-Backbone interact. energy: -0.045 local terms energy: -54.826789 where: bonds (distance) C4'-P energy: -12.152 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -13.043 flat angles P-C4'-P energy: -8.591 tors. eta vs tors. theta energy: -12.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -103.094165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.094165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.094165 (E_RNA) where: Base-Base interactions energy: -59.002 where: short stacking energy: -36.179 Base-Backbone interact. energy: 0.338 local terms energy: -44.430602 where: bonds (distance) C4'-P energy: -10.975 bonds (distance) P-C4' energy: -7.626 flat angles C4'-P-C4' energy: -10.899 flat angles P-C4'-P energy: -10.092 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: 7, replica: 4 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -100.787867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.787867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.787867 (E_RNA) where: Base-Base interactions energy: -50.546 where: short stacking energy: -45.150 Base-Backbone interact. energy: -0.052 local terms energy: -50.189994 where: bonds (distance) C4'-P energy: -13.676 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -8.798 flat angles P-C4'-P energy: -7.097 tors. eta vs tors. theta energy: -7.587 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: 7 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -81.600096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.600096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.600096 (E_RNA) where: Base-Base interactions energy: -40.065 where: short stacking energy: -37.480 Base-Backbone interact. energy: 4.152 local terms energy: -45.687440 where: bonds (distance) C4'-P energy: -9.703 bonds (distance) P-C4' energy: -13.978 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -8.125 tors. eta vs tors. theta energy: -7.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -76.692431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.692431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.692431 (E_RNA) where: Base-Base interactions energy: -34.977 where: short stacking energy: -31.489 Base-Backbone interact. energy: -0.045 local terms energy: -41.670903 where: bonds (distance) C4'-P energy: -9.007 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -8.059 flat angles P-C4'-P energy: -8.472 tors. eta vs tors. theta energy: -2.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -79.488079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.488079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.488079 (E_RNA) where: Base-Base interactions energy: -37.121 where: short stacking energy: -37.121 Base-Backbone interact. energy: -0.010 local terms energy: -42.357383 where: bonds (distance) C4'-P energy: -6.833 bonds (distance) P-C4' energy: -9.245 flat angles C4'-P-C4' energy: -10.317 flat angles P-C4'-P energy: -7.139 tors. eta vs tors. theta energy: -8.824 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: 6 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -158.965655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.965655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.965655 (E_RNA) where: Base-Base interactions energy: -97.544 where: short stacking energy: -62.769 Base-Backbone interact. energy: -0.260 local terms energy: -61.161907 where: bonds (distance) C4'-P energy: -9.892 bonds (distance) P-C4' energy: -12.912 flat angles C4'-P-C4' energy: -15.323 flat angles P-C4'-P energy: -9.313 tors. eta vs tors. theta energy: -13.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -114.106968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.106968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.106968 (E_RNA) where: Base-Base interactions energy: -54.362 where: short stacking energy: -53.572 Base-Backbone interact. energy: -0.146 local terms energy: -59.599450 where: bonds (distance) C4'-P energy: -13.526 bonds (distance) P-C4' energy: -12.041 flat angles C4'-P-C4' energy: -13.995 flat angles P-C4'-P energy: -8.042 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: 3, replica: 2 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -145.091991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.091991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.091991 (E_RNA) where: Base-Base interactions energy: -86.949 where: short stacking energy: -57.957 Base-Backbone interact. energy: 0.967 local terms energy: -59.110042 where: bonds (distance) C4'-P energy: -10.210 bonds (distance) P-C4' energy: -14.084 flat angles C4'-P-C4' energy: -12.585 flat angles P-C4'-P energy: -9.632 tors. eta vs tors. theta energy: -12.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -126.142756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.142756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.142756 (E_RNA) where: Base-Base interactions energy: -79.979 where: short stacking energy: -44.087 Base-Backbone interact. energy: -0.108 local terms energy: -46.055525 where: bonds (distance) C4'-P energy: -14.019 bonds (distance) P-C4' energy: -10.197 flat angles C4'-P-C4' energy: -10.642 flat angles P-C4'-P energy: -9.968 tors. eta vs tors. theta energy: -1.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -132.288826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.288826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.288826 (E_RNA) where: Base-Base interactions energy: -78.426 where: short stacking energy: -35.119 Base-Backbone interact. energy: -0.547 local terms energy: -53.316192 where: bonds (distance) C4'-P energy: -10.915 bonds (distance) P-C4' energy: -14.262 flat angles C4'-P-C4' energy: -15.001 flat angles P-C4'-P energy: -4.971 tors. eta vs tors. theta energy: -8.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -109.620729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.620729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.620729 (E_RNA) where: Base-Base interactions energy: -52.317 where: short stacking energy: -38.108 Base-Backbone interact. energy: -0.747 local terms energy: -56.556794 where: bonds (distance) C4'-P energy: -14.363 bonds (distance) P-C4' energy: -12.669 flat angles C4'-P-C4' energy: -11.528 flat angles P-C4'-P energy: -11.309 tors. eta vs tors. theta energy: -6.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -90.359920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.359920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.359920 (E_RNA) where: Base-Base interactions energy: -32.851 where: short stacking energy: -28.885 Base-Backbone interact. energy: -0.115 local terms energy: -57.393704 where: bonds (distance) C4'-P energy: -12.441 bonds (distance) P-C4' energy: -15.515 flat angles C4'-P-C4' energy: -11.086 flat angles P-C4'-P energy: -11.695 tors. eta vs tors. theta energy: -6.657 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: 4 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -83.657157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.657157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.657157 (E_RNA) where: Base-Base interactions energy: -35.983 where: short stacking energy: -35.983 Base-Backbone interact. energy: -0.174 local terms energy: -47.500574 where: bonds (distance) C4'-P energy: -12.516 bonds (distance) P-C4' energy: -12.843 flat angles C4'-P-C4' energy: -8.862 flat angles P-C4'-P energy: -7.709 tors. eta vs tors. theta energy: -5.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -106.509220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.509220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.509220 (E_RNA) where: Base-Base interactions energy: -60.320 where: short stacking energy: -38.947 Base-Backbone interact. energy: -0.178 local terms energy: -46.011047 where: bonds (distance) C4'-P energy: -9.689 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -12.258 flat angles P-C4'-P energy: -6.652 tors. eta vs tors. theta energy: -3.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -79.188891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.188891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.188891 (E_RNA) where: Base-Base interactions energy: -35.139 where: short stacking energy: -34.363 Base-Backbone interact. energy: -0.006 local terms energy: -44.044290 where: bonds (distance) C4'-P energy: -6.866 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -11.897 flat angles P-C4'-P energy: -6.329 tors. eta vs tors. theta energy: -5.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -141.500063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.500063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.500063 (E_RNA) where: Base-Base interactions energy: -81.639 where: short stacking energy: -44.911 Base-Backbone interact. energy: -1.438 local terms energy: -58.423169 where: bonds (distance) C4'-P energy: -15.543 bonds (distance) P-C4' energy: -14.691 flat angles C4'-P-C4' energy: -11.404 flat angles P-C4'-P energy: -6.810 tors. eta vs tors. theta energy: -9.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -153.045117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.045117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.045117 (E_RNA) where: Base-Base interactions energy: -87.975 where: short stacking energy: -52.332 Base-Backbone interact. energy: -0.077 local terms energy: -64.993980 where: bonds (distance) C4'-P energy: -14.306 bonds (distance) P-C4' energy: -11.766 flat angles C4'-P-C4' energy: -15.251 flat angles P-C4'-P energy: -11.126 tors. eta vs tors. theta energy: -12.545 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: 8 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -113.864305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.864305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.864305 (E_RNA) where: Base-Base interactions energy: -58.285 where: short stacking energy: -58.285 Base-Backbone interact. energy: -0.020 local terms energy: -55.559281 where: bonds (distance) C4'-P energy: -9.196 bonds (distance) P-C4' energy: -12.915 flat angles C4'-P-C4' energy: -13.408 flat angles P-C4'-P energy: -8.129 tors. eta vs tors. theta energy: -11.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -135.369671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.369671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.369671 (E_RNA) where: Base-Base interactions energy: -78.206 where: short stacking energy: -48.426 Base-Backbone interact. energy: -0.490 local terms energy: -56.673126 where: bonds (distance) C4'-P energy: -12.735 bonds (distance) P-C4' energy: -12.361 flat angles C4'-P-C4' energy: -10.033 flat angles P-C4'-P energy: -10.884 tors. eta vs tors. theta energy: -10.660 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: 5, replica: 3 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -128.485965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.485965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.485965 (E_RNA) where: Base-Base interactions energy: -76.110 where: short stacking energy: -46.867 Base-Backbone interact. energy: -0.082 local terms energy: -52.293920 where: bonds (distance) C4'-P energy: -12.885 bonds (distance) P-C4' energy: -10.261 flat angles C4'-P-C4' energy: -11.585 flat angles P-C4'-P energy: -7.157 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: 6, replica: 7 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -105.398031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.398031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.398031 (E_RNA) where: Base-Base interactions energy: -53.503 where: short stacking energy: -48.952 Base-Backbone interact. energy: -0.005 local terms energy: -51.889602 where: bonds (distance) C4'-P energy: -11.093 bonds (distance) P-C4' energy: -15.265 flat angles C4'-P-C4' energy: -9.871 flat angles P-C4'-P energy: -5.310 tors. eta vs tors. theta energy: -10.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -85.671675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.671675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.671675 (E_RNA) where: Base-Base interactions energy: -38.650 where: short stacking energy: -38.650 Base-Backbone interact. energy: -0.215 local terms energy: -46.806668 where: bonds (distance) C4'-P energy: -12.019 bonds (distance) P-C4' energy: -12.342 flat angles C4'-P-C4' energy: -11.387 flat angles P-C4'-P energy: -7.579 tors. eta vs tors. theta energy: -3.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -84.439721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.439721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.439721 (E_RNA) where: Base-Base interactions energy: -33.601 where: short stacking energy: -33.093 Base-Backbone interact. energy: -0.101 local terms energy: -50.737527 where: bonds (distance) C4'-P energy: -10.289 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -13.836 flat angles P-C4'-P energy: -6.810 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: 9, replica: 4 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -75.611285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.611285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.611285 (E_RNA) where: Base-Base interactions energy: -33.830 where: short stacking energy: -33.830 Base-Backbone interact. energy: -0.005 local terms energy: -41.775979 where: bonds (distance) C4'-P energy: -5.353 bonds (distance) P-C4' energy: -12.320 flat angles C4'-P-C4' energy: -13.964 flat angles P-C4'-P energy: -5.832 tors. eta vs tors. theta energy: -4.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -75.287618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.287618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.287618 (E_RNA) where: Base-Base interactions energy: -28.987 where: short stacking energy: -28.987 Base-Backbone interact. energy: -0.598 local terms energy: -45.702368 where: bonds (distance) C4'-P energy: -13.704 bonds (distance) P-C4' energy: -14.432 flat angles C4'-P-C4' energy: -10.016 flat angles P-C4'-P energy: -8.939 tors. eta vs tors. theta energy: 1.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -160.845803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.845803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.845803 (E_RNA) where: Base-Base interactions energy: -99.051 where: short stacking energy: -58.084 Base-Backbone interact. energy: -0.076 local terms energy: -61.718599 where: bonds (distance) C4'-P energy: -13.209 bonds (distance) P-C4' energy: -12.155 flat angles C4'-P-C4' energy: -11.752 flat angles P-C4'-P energy: -11.323 tors. eta vs tors. theta energy: -13.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -156.138404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.138404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.138404 (E_RNA) where: Base-Base interactions energy: -90.349 where: short stacking energy: -59.359 Base-Backbone interact. energy: -0.026 local terms energy: -65.763545 where: bonds (distance) C4'-P energy: -14.045 bonds (distance) P-C4' energy: -12.648 flat angles C4'-P-C4' energy: -14.636 flat angles P-C4'-P energy: -8.175 tors. eta vs tors. theta energy: -16.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -146.861909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.861909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.861909 (E_RNA) where: Base-Base interactions energy: -84.741 where: short stacking energy: -49.806 Base-Backbone interact. energy: -0.002 local terms energy: -62.118642 where: bonds (distance) C4'-P energy: -11.428 bonds (distance) P-C4' energy: -12.401 flat angles C4'-P-C4' energy: -12.322 flat angles P-C4'-P energy: -11.142 tors. eta vs tors. theta energy: -14.826 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: 8 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -112.169837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.169837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.169837 (E_RNA) where: Base-Base interactions energy: -57.747 where: short stacking energy: -53.807 Base-Backbone interact. energy: -0.062 local terms energy: -54.360205 where: bonds (distance) C4'-P energy: -14.794 bonds (distance) P-C4' energy: -13.679 flat angles C4'-P-C4' energy: -11.239 flat angles P-C4'-P energy: -4.093 tors. eta vs tors. theta energy: -10.555 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: 126 Temperature: 1.100000 Total energy: -99.768181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.768181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.768181 (E_RNA) where: Base-Base interactions energy: -46.035 where: short stacking energy: -45.142 Base-Backbone interact. energy: -0.103 local terms energy: -53.630584 where: bonds (distance) C4'-P energy: -14.156 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -10.259 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: -12.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -127.909724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.909724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.909724 (E_RNA) where: Base-Base interactions energy: -74.944 where: short stacking energy: -43.591 Base-Backbone interact. energy: -0.289 local terms energy: -52.676030 where: bonds (distance) C4'-P energy: -13.502 bonds (distance) P-C4' energy: -12.796 flat angles C4'-P-C4' energy: -9.466 flat angles P-C4'-P energy: -6.351 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: 7, replica: 10 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -82.650972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.650972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.650972 (E_RNA) where: Base-Base interactions energy: -42.443 where: short stacking energy: -27.545 Base-Backbone interact. energy: -0.294 local terms energy: -39.913642 where: bonds (distance) C4'-P energy: -11.663 bonds (distance) P-C4' energy: -6.842 flat angles C4'-P-C4' energy: -14.468 flat angles P-C4'-P energy: -5.862 tors. eta vs tors. theta energy: -1.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -92.458139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.458139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.458139 (E_RNA) where: Base-Base interactions energy: -37.997 where: short stacking energy: -37.997 Base-Backbone interact. energy: -0.017 local terms energy: -54.443193 where: bonds (distance) C4'-P energy: -12.074 bonds (distance) P-C4' energy: -13.495 flat angles C4'-P-C4' energy: -12.040 flat angles P-C4'-P energy: -7.195 tors. eta vs tors. theta energy: -9.639 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: 9, replica: 9 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -81.497718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.497718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.497718 (E_RNA) where: Base-Base interactions energy: -29.781 where: short stacking energy: -29.781 Base-Backbone interact. energy: -0.061 local terms energy: -51.655633 where: bonds (distance) C4'-P energy: -13.605 bonds (distance) P-C4' energy: -11.992 flat angles C4'-P-C4' energy: -11.956 flat angles P-C4'-P energy: -4.870 tors. eta vs tors. theta energy: -9.232 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: 4 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -74.504933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.504933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.504933 (E_RNA) where: Base-Base interactions energy: -34.629 where: short stacking energy: -25.708 Base-Backbone interact. energy: 0.181 local terms energy: -40.057612 where: bonds (distance) C4'-P energy: -12.799 bonds (distance) P-C4' energy: -13.121 flat angles C4'-P-C4' energy: -10.483 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: 0.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -151.078570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.078570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.078570 (E_RNA) where: Base-Base interactions energy: -93.099 where: short stacking energy: -50.238 Base-Backbone interact. energy: -0.276 local terms energy: -57.703766 where: bonds (distance) C4'-P energy: -10.970 bonds (distance) P-C4' energy: -15.706 flat angles C4'-P-C4' energy: -14.651 flat angles P-C4'-P energy: -7.936 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: 2, replica: 5 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -144.577106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.577106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.577106 (E_RNA) where: Base-Base interactions energy: -85.938 where: short stacking energy: -55.779 Base-Backbone interact. energy: -0.427 local terms energy: -58.211183 where: bonds (distance) C4'-P energy: -12.184 bonds (distance) P-C4' energy: -12.573 flat angles C4'-P-C4' energy: -15.255 flat angles P-C4'-P energy: -8.482 tors. eta vs tors. theta energy: -9.718 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: 6 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -156.502647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.502647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.502647 (E_RNA) where: Base-Base interactions energy: -93.407 where: short stacking energy: -62.891 Base-Backbone interact. energy: -0.174 local terms energy: -62.921706 where: bonds (distance) C4'-P energy: -12.840 bonds (distance) P-C4' energy: -13.124 flat angles C4'-P-C4' energy: -15.342 flat angles P-C4'-P energy: -5.713 tors. eta vs tors. theta energy: -15.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -104.514969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.514969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.514969 (E_RNA) where: Base-Base interactions energy: -48.749 where: short stacking energy: -45.530 Base-Backbone interact. energy: -0.002 local terms energy: -55.763994 where: bonds (distance) C4'-P energy: -10.961 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -14.349 flat angles P-C4'-P energy: -8.244 tors. eta vs tors. theta energy: -7.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -90.765064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.765064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.765064 (E_RNA) where: Base-Base interactions energy: -37.723 where: short stacking energy: -37.723 Base-Backbone interact. energy: 0.464 local terms energy: -53.506829 where: bonds (distance) C4'-P energy: -12.078 bonds (distance) P-C4' energy: -14.388 flat angles C4'-P-C4' energy: -10.785 flat angles P-C4'-P energy: -12.126 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: 6, replica: 3 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -134.574801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.574801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.574801 (E_RNA) where: Base-Base interactions energy: -86.342 where: short stacking energy: -51.274 Base-Backbone interact. energy: -0.001 local terms energy: -48.231386 where: bonds (distance) C4'-P energy: -12.476 bonds (distance) P-C4' energy: -9.180 flat angles C4'-P-C4' energy: -7.163 flat angles P-C4'-P energy: -7.246 tors. eta vs tors. theta energy: -12.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -106.516800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.516800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.516800 (E_RNA) where: Base-Base interactions energy: -44.148 where: short stacking energy: -43.433 Base-Backbone interact. energy: -0.022 local terms energy: -62.346700 where: bonds (distance) C4'-P energy: -10.961 bonds (distance) P-C4' energy: -12.803 flat angles C4'-P-C4' energy: -15.094 flat angles P-C4'-P energy: -10.951 tors. eta vs tors. theta energy: -12.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -84.337722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.337722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.337722 (E_RNA) where: Base-Base interactions energy: -33.748 where: short stacking energy: -33.748 Base-Backbone interact. energy: -0.198 local terms energy: -50.392131 where: bonds (distance) C4'-P energy: -13.145 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -11.901 flat angles P-C4'-P energy: -3.457 tors. eta vs tors. theta energy: -6.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -81.502687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.502687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.502687 (E_RNA) where: Base-Base interactions energy: -29.601 where: short stacking energy: -29.601 Base-Backbone interact. energy: -0.549 local terms energy: -51.353036 where: bonds (distance) C4'-P energy: -12.496 bonds (distance) P-C4' energy: -13.071 flat angles C4'-P-C4' energy: -9.531 flat angles P-C4'-P energy: -11.772 tors. eta vs tors. theta energy: -4.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -83.032006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.032006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.032006 (E_RNA) where: Base-Base interactions energy: -44.155 where: short stacking energy: -36.573 Base-Backbone interact. energy: 0.195 local terms energy: -39.071681 where: bonds (distance) C4'-P energy: -7.250 bonds (distance) P-C4' energy: -12.457 flat angles C4'-P-C4' energy: -8.225 flat angles P-C4'-P energy: -6.202 tors. eta vs tors. theta energy: -4.938 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: 5 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -157.103336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.103336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.103336 (E_RNA) where: Base-Base interactions energy: -91.328 where: short stacking energy: -59.710 Base-Backbone interact. energy: -0.082 local terms energy: -65.694005 where: bonds (distance) C4'-P energy: -13.941 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -14.817 flat angles P-C4'-P energy: -8.096 tors. eta vs tors. theta energy: -14.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -151.494999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.494999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.494999 (E_RNA) where: Base-Base interactions energy: -85.143 where: short stacking energy: -57.750 Base-Backbone interact. energy: -0.002 local terms energy: -66.350117 where: bonds (distance) C4'-P energy: -13.381 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -14.186 flat angles P-C4'-P energy: -11.996 tors. eta vs tors. theta energy: -12.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -107.594280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.594280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.594280 (E_RNA) where: Base-Base interactions energy: -54.142 where: short stacking energy: -54.142 Base-Backbone interact. energy: -0.079 local terms energy: -53.373426 where: bonds (distance) C4'-P energy: -9.975 bonds (distance) P-C4' energy: -13.222 flat angles C4'-P-C4' energy: -13.089 flat angles P-C4'-P energy: -5.930 tors. eta vs tors. theta energy: -11.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -146.101736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.101736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.101736 (E_RNA) where: Base-Base interactions energy: -87.926 where: short stacking energy: -50.215 Base-Backbone interact. energy: -0.041 local terms energy: -58.134903 where: bonds (distance) C4'-P energy: -12.119 bonds (distance) P-C4' energy: -12.182 flat angles C4'-P-C4' energy: -12.221 flat angles P-C4'-P energy: -9.767 tors. eta vs tors. theta energy: -11.845 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: 3 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -148.338682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.338682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.338682 (E_RNA) where: Base-Base interactions energy: -89.549 where: short stacking energy: -56.382 Base-Backbone interact. energy: -0.008 local terms energy: -58.781453 where: bonds (distance) C4'-P energy: -11.820 bonds (distance) P-C4' energy: -13.025 flat angles C4'-P-C4' energy: -13.191 flat angles P-C4'-P energy: -6.156 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: 8 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -84.623391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.623391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.623391 (E_RNA) where: Base-Base interactions energy: -35.855 where: short stacking energy: -35.855 Base-Backbone interact. energy: -0.321 local terms energy: -48.447444 where: bonds (distance) C4'-P energy: -11.450 bonds (distance) P-C4' energy: -12.636 flat angles C4'-P-C4' energy: -9.999 flat angles P-C4'-P energy: -7.271 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: 7, replica: 10 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -92.225966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.225966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.225966 (E_RNA) where: Base-Base interactions energy: -34.887 where: short stacking energy: -33.456 Base-Backbone interact. energy: -0.178 local terms energy: -57.161370 where: bonds (distance) C4'-P energy: -9.027 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -15.447 flat angles P-C4'-P energy: -10.857 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: 8, replica: 9 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -83.902793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.902793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.902793 (E_RNA) where: Base-Base interactions energy: -35.894 where: short stacking energy: -35.894 Base-Backbone interact. energy: -0.294 local terms energy: -47.715007 where: bonds (distance) C4'-P energy: -11.029 bonds (distance) P-C4' energy: -9.293 flat angles C4'-P-C4' energy: -11.344 flat angles P-C4'-P energy: -7.276 tors. eta vs tors. theta energy: -8.773 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: 4 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -78.203355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.203355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.203355 (E_RNA) where: Base-Base interactions energy: -38.688 where: short stacking energy: -31.772 Base-Backbone interact. energy: -0.506 local terms energy: -39.009389 where: bonds (distance) C4'-P energy: -7.855 bonds (distance) P-C4' energy: -7.502 flat angles C4'-P-C4' energy: -13.549 flat angles P-C4'-P energy: -8.121 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: 10, replica: 1 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -75.037105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.037105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.037105 (E_RNA) where: Base-Base interactions energy: -34.822 where: short stacking energy: -33.277 Base-Backbone interact. energy: -0.184 local terms energy: -40.031238 where: bonds (distance) C4'-P energy: -10.587 bonds (distance) P-C4' energy: -11.856 flat angles C4'-P-C4' energy: -10.279 flat angles P-C4'-P energy: -5.725 tors. eta vs tors. theta energy: -1.584 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: 5 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -147.091354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.091354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.091354 (E_RNA) where: Base-Base interactions energy: -84.234 where: short stacking energy: -51.728 Base-Backbone interact. energy: -0.100 local terms energy: -62.757628 where: bonds (distance) C4'-P energy: -12.757 bonds (distance) P-C4' energy: -13.325 flat angles C4'-P-C4' energy: -12.534 flat angles P-C4'-P energy: -10.861 tors. eta vs tors. theta energy: -13.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -150.946005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.946005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.946005 (E_RNA) where: Base-Base interactions energy: -87.025 where: short stacking energy: -59.501 Base-Backbone interact. energy: -0.001 local terms energy: -63.919856 where: bonds (distance) C4'-P energy: -15.357 bonds (distance) P-C4' energy: -14.875 flat angles C4'-P-C4' energy: -14.012 flat angles P-C4'-P energy: -7.373 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: 3, replica: 7 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -109.900678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.900678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.900678 (E_RNA) where: Base-Base interactions energy: -52.732 where: short stacking energy: -48.596 Base-Backbone interact. energy: -0.046 local terms energy: -57.122280 where: bonds (distance) C4'-P energy: -9.991 bonds (distance) P-C4' energy: -12.880 flat angles C4'-P-C4' energy: -15.465 flat angles P-C4'-P energy: -5.469 tors. eta vs tors. theta energy: -13.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -137.995296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.995296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.995296 (E_RNA) where: Base-Base interactions energy: -81.927 where: short stacking energy: -53.528 Base-Backbone interact. energy: -0.061 local terms energy: -56.007729 where: bonds (distance) C4'-P energy: -10.642 bonds (distance) P-C4' energy: -13.649 flat angles C4'-P-C4' energy: -14.200 flat angles P-C4'-P energy: -9.654 tors. eta vs tors. theta energy: -7.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -139.718137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.718137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.718137 (E_RNA) where: Base-Base interactions energy: -84.016 where: short stacking energy: -51.376 Base-Backbone interact. energy: -0.018 local terms energy: -55.684193 where: bonds (distance) C4'-P energy: -9.374 bonds (distance) P-C4' energy: -14.011 flat angles C4'-P-C4' energy: -9.033 flat angles P-C4'-P energy: -11.755 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: 6, replica: 10 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -94.762401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.762401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.762401 (E_RNA) where: Base-Base interactions energy: -45.721 where: short stacking energy: -44.066 Base-Backbone interact. energy: -0.110 local terms energy: -48.931540 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -12.091 flat angles C4'-P-C4' energy: -12.832 flat angles P-C4'-P energy: -10.298 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: 7, replica: 8 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -98.541719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.541719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.541719 (E_RNA) where: Base-Base interactions energy: -39.709 where: short stacking energy: -37.219 Base-Backbone interact. energy: -0.230 local terms energy: -58.602791 where: bonds (distance) C4'-P energy: -13.800 bonds (distance) P-C4' energy: -12.935 flat angles C4'-P-C4' energy: -13.607 flat angles P-C4'-P energy: -7.043 tors. eta vs tors. theta energy: -11.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -90.971844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.971844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.971844 (E_RNA) where: Base-Base interactions energy: -38.729 where: short stacking energy: -38.729 Base-Backbone interact. energy: -0.042 local terms energy: -52.200275 where: bonds (distance) C4'-P energy: -14.058 bonds (distance) P-C4' energy: -12.510 flat angles C4'-P-C4' energy: -13.844 flat angles P-C4'-P energy: -7.378 tors. eta vs tors. theta energy: -4.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -87.769902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.769902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.769902 (E_RNA) where: Base-Base interactions energy: -41.622 where: short stacking energy: -40.486 Base-Backbone interact. energy: -0.036 local terms energy: -46.112291 where: bonds (distance) C4'-P energy: -12.252 bonds (distance) P-C4' energy: -10.101 flat angles C4'-P-C4' energy: -12.237 flat angles P-C4'-P energy: -6.687 tors. eta vs tors. theta energy: -4.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -81.922325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.922325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.922325 (E_RNA) where: Base-Base interactions energy: -35.931 where: short stacking energy: -33.936 Base-Backbone interact. energy: 0.143 local terms energy: -46.134229 where: bonds (distance) C4'-P energy: -8.981 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -10.820 flat angles P-C4'-P energy: -8.358 tors. eta vs tors. theta energy: -2.643 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: 1, replica: 2 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -155.683090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.683090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.683090 (E_RNA) where: Base-Base interactions energy: -90.696 where: short stacking energy: -56.735 Base-Backbone interact. energy: -0.376 local terms energy: -64.610893 where: bonds (distance) C4'-P energy: -11.245 bonds (distance) P-C4' energy: -13.971 flat angles C4'-P-C4' energy: -13.137 flat angles P-C4'-P energy: -10.155 tors. eta vs tors. theta energy: -16.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -147.081250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.081250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.081250 (E_RNA) where: Base-Base interactions energy: -88.681 where: short stacking energy: -54.677 Base-Backbone interact. energy: -0.151 local terms energy: -58.249140 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -13.189 flat angles C4'-P-C4' energy: -14.184 flat angles P-C4'-P energy: -7.022 tors. eta vs tors. theta energy: -11.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -142.558283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.558283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.558283 (E_RNA) where: Base-Base interactions energy: -89.452 where: short stacking energy: -55.471 Base-Backbone interact. energy: 0.014 local terms energy: -53.121063 where: bonds (distance) C4'-P energy: -13.837 bonds (distance) P-C4' energy: -10.728 flat angles C4'-P-C4' energy: -13.744 flat angles P-C4'-P energy: -6.461 tors. eta vs tors. theta energy: -8.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -97.533988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.533988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.533988 (E_RNA) where: Base-Base interactions energy: -47.638 where: short stacking energy: -37.085 Base-Backbone interact. energy: -1.032 local terms energy: -48.863900 where: bonds (distance) C4'-P energy: -10.439 bonds (distance) P-C4' energy: -12.885 flat angles C4'-P-C4' energy: -10.488 flat angles P-C4'-P energy: -9.478 tors. eta vs tors. theta energy: -5.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -130.931364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.931364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.931364 (E_RNA) where: Base-Base interactions energy: -78.882 where: short stacking energy: -40.736 Base-Backbone interact. energy: -0.752 local terms energy: -51.297293 where: bonds (distance) C4'-P energy: -12.931 bonds (distance) P-C4' energy: -12.259 flat angles C4'-P-C4' energy: -9.672 flat angles P-C4'-P energy: -8.352 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: 6, replica: 10 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -97.375629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.375629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.375629 (E_RNA) where: Base-Base interactions energy: -47.706 where: short stacking energy: -47.706 Base-Backbone interact. energy: -0.053 local terms energy: -49.616230 where: bonds (distance) C4'-P energy: -12.086 bonds (distance) P-C4' energy: -12.788 flat angles C4'-P-C4' energy: -10.399 flat angles P-C4'-P energy: -8.983 tors. eta vs tors. theta energy: -5.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -97.147572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.147572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.147572 (E_RNA) where: Base-Base interactions energy: -50.750 where: short stacking energy: -42.254 Base-Backbone interact. energy: 1.008 local terms energy: -47.406228 where: bonds (distance) C4'-P energy: -12.562 bonds (distance) P-C4' energy: -11.038 flat angles C4'-P-C4' energy: -10.798 flat angles P-C4'-P energy: -7.471 tors. eta vs tors. theta energy: -5.537 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: 130 Temperature: 1.250000 Total energy: -82.511962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.511962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.511962 (E_RNA) where: Base-Base interactions energy: -35.233 where: short stacking energy: -34.839 Base-Backbone interact. energy: -0.258 local terms energy: -47.021049 where: bonds (distance) C4'-P energy: -10.403 bonds (distance) P-C4' energy: -11.082 flat angles C4'-P-C4' energy: -14.532 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -7.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -79.855769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.855769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.855769 (E_RNA) where: Base-Base interactions energy: -38.961 where: short stacking energy: -18.217 Base-Backbone interact. energy: -0.938 local terms energy: -39.956180 where: bonds (distance) C4'-P energy: -10.745 bonds (distance) P-C4' energy: -11.026 flat angles C4'-P-C4' energy: -11.326 flat angles P-C4'-P energy: -7.627 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: 10, replica: 9 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -71.469203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.469203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.469203 (E_RNA) where: Base-Base interactions energy: -22.311 where: short stacking energy: -20.067 Base-Backbone interact. energy: -0.087 local terms energy: -49.070669 where: bonds (distance) C4'-P energy: -13.597 bonds (distance) P-C4' energy: -11.479 flat angles C4'-P-C4' energy: -14.044 flat angles P-C4'-P energy: -7.735 tors. eta vs tors. theta energy: -2.216 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: 2 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -163.546908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.546908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.546908 (E_RNA) where: Base-Base interactions energy: -102.862 where: short stacking energy: -63.347 Base-Backbone interact. energy: -0.222 local terms energy: -60.463288 where: bonds (distance) C4'-P energy: -11.174 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -10.445 flat angles P-C4'-P energy: -11.337 tors. eta vs tors. theta energy: -14.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -155.994569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.994569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.994569 (E_RNA) where: Base-Base interactions energy: -98.279 where: short stacking energy: -64.769 Base-Backbone interact. energy: -0.027 local terms energy: -57.688079 where: bonds (distance) C4'-P energy: -12.690 bonds (distance) P-C4' energy: -10.585 flat angles C4'-P-C4' energy: -13.420 flat angles P-C4'-P energy: -11.081 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: 5 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -143.073399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.073399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.073399 (E_RNA) where: Base-Base interactions energy: -81.478 where: short stacking energy: -49.030 Base-Backbone interact. energy: 0.391 local terms energy: -61.986682 where: bonds (distance) C4'-P energy: -14.620 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -13.517 flat angles P-C4'-P energy: -9.382 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: 4, replica: 6 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -138.050946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.050946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.050946 (E_RNA) where: Base-Base interactions energy: -81.375 where: short stacking energy: -49.732 Base-Backbone interact. energy: -0.188 local terms energy: -56.488833 where: bonds (distance) C4'-P energy: -12.293 bonds (distance) P-C4' energy: -10.854 flat angles C4'-P-C4' energy: -13.013 flat angles P-C4'-P energy: -8.414 tors. eta vs tors. theta energy: -11.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -108.699516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.699516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.699516 (E_RNA) where: Base-Base interactions energy: -58.456 where: short stacking energy: -57.962 Base-Backbone interact. energy: -0.001 local terms energy: -50.242114 where: bonds (distance) C4'-P energy: -13.257 bonds (distance) P-C4' energy: -11.230 flat angles C4'-P-C4' energy: -8.022 flat angles P-C4'-P energy: -3.630 tors. eta vs tors. theta energy: -14.103 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: 131 Temperature: 1.150000 Total energy: -102.026078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.026078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.026078 (E_RNA) where: Base-Base interactions energy: -52.695 where: short stacking energy: -52.695 Base-Backbone interact. energy: -0.031 local terms energy: -49.300402 where: bonds (distance) C4'-P energy: -9.353 bonds (distance) P-C4' energy: -9.903 flat angles C4'-P-C4' energy: -11.230 flat angles P-C4'-P energy: -7.949 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: 7, replica: 10 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -82.422625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.422625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.422625 (E_RNA) where: Base-Base interactions energy: -32.238 where: short stacking energy: -32.047 Base-Backbone interact. energy: -0.091 local terms energy: -50.093288 where: bonds (distance) C4'-P energy: -13.089 bonds (distance) P-C4' energy: -12.649 flat angles C4'-P-C4' energy: -9.572 flat angles P-C4'-P energy: -8.080 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: 8, replica: 1 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -84.085988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.085988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.085988 (E_RNA) where: Base-Base interactions energy: -33.486 where: short stacking energy: -33.486 Base-Backbone interact. energy: -0.863 local terms energy: -49.736684 where: bonds (distance) C4'-P energy: -11.031 bonds (distance) P-C4' energy: -12.042 flat angles C4'-P-C4' energy: -9.751 flat angles P-C4'-P energy: -8.499 tors. eta vs tors. theta energy: -8.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -89.950150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.950150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.950150 (E_RNA) where: Base-Base interactions energy: -38.018 where: short stacking energy: -38.018 Base-Backbone interact. energy: -0.134 local terms energy: -51.798427 where: bonds (distance) C4'-P energy: -13.307 bonds (distance) P-C4' energy: -9.570 flat angles C4'-P-C4' energy: -11.550 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -10.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -80.074819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.074819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.074819 (E_RNA) where: Base-Base interactions energy: -28.621 where: short stacking energy: -28.237 Base-Backbone interact. energy: 0.714 local terms energy: -52.167813 where: bonds (distance) C4'-P energy: -11.693 bonds (distance) P-C4' energy: -11.395 flat angles C4'-P-C4' energy: -10.059 flat angles P-C4'-P energy: -11.904 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: 1, replica: 3 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -161.523338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.523338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.523338 (E_RNA) where: Base-Base interactions energy: -101.382 where: short stacking energy: -59.252 Base-Backbone interact. energy: -0.328 local terms energy: -59.813928 where: bonds (distance) C4'-P energy: -11.296 bonds (distance) P-C4' energy: -12.749 flat angles C4'-P-C4' energy: -11.495 flat angles P-C4'-P energy: -8.612 tors. eta vs tors. theta energy: -15.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -158.125476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.125476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.125476 (E_RNA) where: Base-Base interactions energy: -101.348 where: short stacking energy: -62.620 Base-Backbone interact. energy: -0.052 local terms energy: -56.725325 where: bonds (distance) C4'-P energy: -13.821 bonds (distance) P-C4' energy: -11.765 flat angles C4'-P-C4' energy: -9.307 flat angles P-C4'-P energy: -7.696 tors. eta vs tors. theta energy: -14.137 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: 6 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -142.062274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.062274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.062274 (E_RNA) where: Base-Base interactions energy: -85.502 where: short stacking energy: -58.524 Base-Backbone interact. energy: 0.064 local terms energy: -56.624631 where: bonds (distance) C4'-P energy: -13.411 bonds (distance) P-C4' energy: -9.859 flat angles C4'-P-C4' energy: -12.949 flat angles P-C4'-P energy: -9.311 tors. eta vs tors. theta energy: -11.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -144.146600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.146600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.146600 (E_RNA) where: Base-Base interactions energy: -82.213 where: short stacking energy: -47.618 Base-Backbone interact. energy: -0.018 local terms energy: -61.915803 where: bonds (distance) C4'-P energy: -8.355 bonds (distance) P-C4' energy: -14.099 flat angles C4'-P-C4' energy: -15.398 flat angles P-C4'-P energy: -10.118 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: 8 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -95.426551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.426551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.426551 (E_RNA) where: Base-Base interactions energy: -41.393 where: short stacking energy: -37.292 Base-Backbone interact. energy: -0.053 local terms energy: -53.979808 where: bonds (distance) C4'-P energy: -14.851 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -12.118 flat angles P-C4'-P energy: -6.201 tors. eta vs tors. theta energy: -6.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -110.372080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.372080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.372080 (E_RNA) where: Base-Base interactions energy: -64.506 where: short stacking energy: -40.284 Base-Backbone interact. energy: 0.481 local terms energy: -46.347392 where: bonds (distance) C4'-P energy: -8.712 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -10.376 flat angles P-C4'-P energy: -6.663 tors. eta vs tors. theta energy: -7.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -95.761309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.761309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.761309 (E_RNA) where: Base-Base interactions energy: -45.723 where: short stacking energy: -23.370 Base-Backbone interact. energy: -0.235 local terms energy: -49.803365 where: bonds (distance) C4'-P energy: -13.978 bonds (distance) P-C4' energy: -12.243 flat angles C4'-P-C4' energy: -12.828 flat angles P-C4'-P energy: -5.529 tors. eta vs tors. theta energy: -5.225 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: 10 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -76.375837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.375837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.375837 (E_RNA) where: Base-Base interactions energy: -30.536 where: short stacking energy: -28.878 Base-Backbone interact. energy: -0.126 local terms energy: -45.713884 where: bonds (distance) C4'-P energy: -11.179 bonds (distance) P-C4' energy: -15.488 flat angles C4'-P-C4' energy: -7.053 flat angles P-C4'-P energy: -9.459 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: 9, replica: 9 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -82.875050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.875050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.875050 (E_RNA) where: Base-Base interactions energy: -42.548 where: short stacking energy: -36.334 Base-Backbone interact. energy: 0.286 local terms energy: -40.613697 where: bonds (distance) C4'-P energy: -10.075 bonds (distance) P-C4' energy: -9.372 flat angles C4'-P-C4' energy: -12.902 flat angles P-C4'-P energy: -5.967 tors. eta vs tors. theta energy: -2.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -62.968268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.968268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.968268 (E_RNA) where: Base-Base interactions energy: -33.591 where: short stacking energy: -18.023 Base-Backbone interact. energy: -0.925 local terms energy: -28.452439 where: bonds (distance) C4'-P energy: -13.358 bonds (distance) P-C4' energy: -8.070 flat angles C4'-P-C4' energy: -9.823 flat angles P-C4'-P energy: -0.202 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: 1, replica: 3 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -156.117163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.117163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.117163 (E_RNA) where: Base-Base interactions energy: -98.356 where: short stacking energy: -57.207 Base-Backbone interact. energy: -0.547 local terms energy: -57.214280 where: bonds (distance) C4'-P energy: -12.264 bonds (distance) P-C4' energy: -14.993 flat angles C4'-P-C4' energy: -12.025 flat angles P-C4'-P energy: -7.286 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: 2, replica: 2 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -161.989488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.989488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.989488 (E_RNA) where: Base-Base interactions energy: -103.459 where: short stacking energy: -70.053 Base-Backbone interact. energy: -0.221 local terms energy: -58.309621 where: bonds (distance) C4'-P energy: -8.650 bonds (distance) P-C4' energy: -13.512 flat angles C4'-P-C4' energy: -10.544 flat angles P-C4'-P energy: -9.017 tors. eta vs tors. theta energy: -16.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -146.066742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.066742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.066742 (E_RNA) where: Base-Base interactions energy: -86.808 where: short stacking energy: -51.761 Base-Backbone interact. energy: -0.080 local terms energy: -59.178394 where: bonds (distance) C4'-P energy: -12.673 bonds (distance) P-C4' energy: -12.115 flat angles C4'-P-C4' energy: -9.901 flat angles P-C4'-P energy: -9.830 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: 4, replica: 8 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -110.829302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.829302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.829302 (E_RNA) where: Base-Base interactions energy: -59.185 where: short stacking energy: -59.185 Base-Backbone interact. energy: -0.004 local terms energy: -51.640354 where: bonds (distance) C4'-P energy: -9.316 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -11.691 flat angles P-C4'-P energy: -8.843 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: 5, replica: 5 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -141.842844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.842844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.842844 (E_RNA) where: Base-Base interactions energy: -82.942 where: short stacking energy: -52.356 Base-Backbone interact. energy: 0.728 local terms energy: -59.629144 where: bonds (distance) C4'-P energy: -11.034 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -12.716 flat angles P-C4'-P energy: -10.903 tors. eta vs tors. theta energy: -11.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -126.028418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.028418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.028418 (E_RNA) where: Base-Base interactions energy: -80.069 where: short stacking energy: -42.748 Base-Backbone interact. energy: 0.536 local terms energy: -46.495024 where: bonds (distance) C4'-P energy: -11.750 bonds (distance) P-C4' energy: -13.691 flat angles C4'-P-C4' energy: -11.075 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -6.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -84.288401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.288401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.288401 (E_RNA) where: Base-Base interactions energy: -35.960 where: short stacking energy: -33.591 Base-Backbone interact. energy: -0.177 local terms energy: -48.150841 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -14.614 flat angles C4'-P-C4' energy: -11.844 flat angles P-C4'-P energy: -9.315 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: 8, replica: 9 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -82.544820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.544820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.544820 (E_RNA) where: Base-Base interactions energy: -38.171 where: short stacking energy: -33.236 Base-Backbone interact. energy: -0.077 local terms energy: -44.296854 where: bonds (distance) C4'-P energy: -13.448 bonds (distance) P-C4' energy: -14.315 flat angles C4'-P-C4' energy: -10.762 flat angles P-C4'-P energy: -7.558 tors. eta vs tors. theta energy: 1.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -90.360684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.360684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.360684 (E_RNA) where: Base-Base interactions energy: -43.045 where: short stacking energy: -43.045 Base-Backbone interact. energy: -0.068 local terms energy: -47.248232 where: bonds (distance) C4'-P energy: -7.681 bonds (distance) P-C4' energy: -9.568 flat angles C4'-P-C4' energy: -10.451 flat angles P-C4'-P energy: -8.284 tors. eta vs tors. theta energy: -11.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -71.644820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.644820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.644820 (E_RNA) where: Base-Base interactions energy: -31.581 where: short stacking energy: -29.096 Base-Backbone interact. energy: -0.167 local terms energy: -39.896971 where: bonds (distance) C4'-P energy: -11.590 bonds (distance) P-C4' energy: -10.738 flat angles C4'-P-C4' energy: -5.428 flat angles P-C4'-P energy: -9.846 tors. eta vs tors. theta energy: -2.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -155.562103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.562103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.562103 (E_RNA) where: Base-Base interactions energy: -95.969 where: short stacking energy: -60.411 Base-Backbone interact. energy: -0.282 local terms energy: -59.310572 where: bonds (distance) C4'-P energy: -11.258 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -12.176 flat angles P-C4'-P energy: -7.743 tors. eta vs tors. theta energy: -14.454 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: 134 Temperature: 0.950000 Total energy: -158.481560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.481560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.481560 (E_RNA) where: Base-Base interactions energy: -98.553 where: short stacking energy: -61.281 Base-Backbone interact. energy: -0.163 local terms energy: -59.765009 where: bonds (distance) C4'-P energy: -13.153 bonds (distance) P-C4' energy: -11.217 flat angles C4'-P-C4' energy: -13.403 flat angles P-C4'-P energy: -8.270 tors. eta vs tors. theta energy: -13.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -157.984675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.984675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.984675 (E_RNA) where: Base-Base interactions energy: -95.771 where: short stacking energy: -59.733 Base-Backbone interact. energy: -0.003 local terms energy: -62.210808 where: bonds (distance) C4'-P energy: -11.688 bonds (distance) P-C4' energy: -12.076 flat angles C4'-P-C4' energy: -11.641 flat angles P-C4'-P energy: -11.360 tors. eta vs tors. theta energy: -15.446 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: 8 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -99.338157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.338157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.338157 (E_RNA) where: Base-Base interactions energy: -49.556 where: short stacking energy: -46.341 Base-Backbone interact. energy: -0.020 local terms energy: -49.761839 where: bonds (distance) C4'-P energy: -11.733 bonds (distance) P-C4' energy: -14.400 flat angles C4'-P-C4' energy: -11.174 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -8.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -149.377446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.377446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.377446 (E_RNA) where: Base-Base interactions energy: -87.590 where: short stacking energy: -49.687 Base-Backbone interact. energy: -0.251 local terms energy: -61.536027 where: bonds (distance) C4'-P energy: -9.593 bonds (distance) P-C4' energy: -15.538 flat angles C4'-P-C4' energy: -13.797 flat angles P-C4'-P energy: -8.055 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: 6, replica: 7 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -131.329727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.329727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.329727 (E_RNA) where: Base-Base interactions energy: -72.472 where: short stacking energy: -41.282 Base-Backbone interact. energy: -0.094 local terms energy: -58.763297 where: bonds (distance) C4'-P energy: -12.360 bonds (distance) P-C4' energy: -13.992 flat angles C4'-P-C4' energy: -10.821 flat angles P-C4'-P energy: -11.904 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: 7, replica: 1 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -96.777890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.777890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.777890 (E_RNA) where: Base-Base interactions energy: -40.111 where: short stacking energy: -39.058 Base-Backbone interact. energy: -0.746 local terms energy: -55.921027 where: bonds (distance) C4'-P energy: -11.908 bonds (distance) P-C4' energy: -11.296 flat angles C4'-P-C4' energy: -13.638 flat angles P-C4'-P energy: -10.098 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: 8, replica: 9 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -72.736110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.736110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.736110 (E_RNA) where: Base-Base interactions energy: -31.923 where: short stacking energy: -30.974 Base-Backbone interact. energy: -0.176 local terms energy: -40.636885 where: bonds (distance) C4'-P energy: -9.338 bonds (distance) P-C4' energy: -6.666 flat angles C4'-P-C4' energy: -10.535 flat angles P-C4'-P energy: -8.482 tors. eta vs tors. theta energy: -5.615 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: 4 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -76.981109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.981109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.981109 (E_RNA) where: Base-Base interactions energy: -26.930 where: short stacking energy: -25.365 Base-Backbone interact. energy: 0.449 local terms energy: -50.500544 where: bonds (distance) C4'-P energy: -11.503 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -12.904 flat angles P-C4'-P energy: -9.962 tors. eta vs tors. theta energy: -1.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -84.325702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.325702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.325702 (E_RNA) where: Base-Base interactions energy: -36.582 where: short stacking energy: -36.470 Base-Backbone interact. energy: -0.074 local terms energy: -47.670118 where: bonds (distance) C4'-P energy: -9.147 bonds (distance) P-C4' energy: -10.203 flat angles C4'-P-C4' energy: -10.145 flat angles P-C4'-P energy: -8.178 tors. eta vs tors. theta energy: -9.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -163.054851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.054851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.054851 (E_RNA) where: Base-Base interactions energy: -102.470 where: short stacking energy: -61.431 Base-Backbone interact. energy: -0.316 local terms energy: -60.268803 where: bonds (distance) C4'-P energy: -13.572 bonds (distance) P-C4' energy: -13.470 flat angles C4'-P-C4' energy: -10.565 flat angles P-C4'-P energy: -8.920 tors. eta vs tors. theta energy: -13.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -163.990821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.990821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.990821 (E_RNA) where: Base-Base interactions energy: -103.699 where: short stacking energy: -70.879 Base-Backbone interact. energy: -0.001 local terms energy: -60.291129 where: bonds (distance) C4'-P energy: -10.932 bonds (distance) P-C4' energy: -10.519 flat angles C4'-P-C4' energy: -14.578 flat angles P-C4'-P energy: -8.783 tors. eta vs tors. theta energy: -15.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -155.996563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.996563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.996563 (E_RNA) where: Base-Base interactions energy: -95.570 where: short stacking energy: -63.809 Base-Backbone interact. energy: -0.053 local terms energy: -60.372736 where: bonds (distance) C4'-P energy: -12.988 bonds (distance) P-C4' energy: -13.535 flat angles C4'-P-C4' energy: -12.094 flat angles P-C4'-P energy: -9.628 tors. eta vs tors. theta energy: -12.127 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: 4, replica: 5 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -148.598561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.598561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.598561 (E_RNA) where: Base-Base interactions energy: -87.736 where: short stacking energy: -52.298 Base-Backbone interact. energy: -0.015 local terms energy: -60.847540 where: bonds (distance) C4'-P energy: -12.524 bonds (distance) P-C4' energy: -14.342 flat angles C4'-P-C4' energy: -14.926 flat angles P-C4'-P energy: -9.246 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: 5, replica: 8 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -113.648021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.648021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.648021 (E_RNA) where: Base-Base interactions energy: -57.876 where: short stacking energy: -57.876 Base-Backbone interact. energy: -0.000 local terms energy: -55.772226 where: bonds (distance) C4'-P energy: -12.818 bonds (distance) P-C4' energy: -9.315 flat angles C4'-P-C4' energy: -14.286 flat angles P-C4'-P energy: -5.418 tors. eta vs tors. theta energy: -13.935 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: 7 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -121.538657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.538657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.538657 (E_RNA) where: Base-Base interactions energy: -65.567 where: short stacking energy: -32.884 Base-Backbone interact. energy: -0.351 local terms energy: -55.620941 where: bonds (distance) C4'-P energy: -12.184 bonds (distance) P-C4' energy: -13.713 flat angles C4'-P-C4' energy: -14.137 flat angles P-C4'-P energy: -8.854 tors. eta vs tors. theta energy: -6.733 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: 1 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -99.548978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.548978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.548978 (E_RNA) where: Base-Base interactions energy: -49.579 where: short stacking energy: -43.435 Base-Backbone interact. energy: -0.320 local terms energy: -49.649845 where: bonds (distance) C4'-P energy: -12.790 bonds (distance) P-C4' energy: -14.510 flat angles C4'-P-C4' energy: -11.194 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -7.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -77.764027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.764027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.764027 (E_RNA) where: Base-Base interactions energy: -36.474 where: short stacking energy: -34.142 Base-Backbone interact. energy: 0.816 local terms energy: -42.105931 where: bonds (distance) C4'-P energy: -11.715 bonds (distance) P-C4' energy: -9.256 flat angles C4'-P-C4' energy: -10.559 flat angles P-C4'-P energy: -8.135 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: 9, replica: 9 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -82.352514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.352514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.352514 (E_RNA) where: Base-Base interactions energy: -39.211 where: short stacking energy: -38.904 Base-Backbone interact. energy: -0.009 local terms energy: -43.131672 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -10.098 flat angles C4'-P-C4' energy: -12.538 flat angles P-C4'-P energy: -7.530 tors. eta vs tors. theta energy: -5.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -108.446335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.446335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.446335 (E_RNA) where: Base-Base interactions energy: -69.838 where: short stacking energy: -50.001 Base-Backbone interact. energy: -0.719 local terms energy: -37.888805 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -3.922 flat angles C4'-P-C4' energy: -12.124 flat angles P-C4'-P energy: -7.438 tors. eta vs tors. theta energy: -10.467 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: 1, replica: 6 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -151.619134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.619134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.619134 (E_RNA) where: Base-Base interactions energy: -92.873 where: short stacking energy: -58.514 Base-Backbone interact. energy: -0.000 local terms energy: -58.746152 where: bonds (distance) C4'-P energy: -12.625 bonds (distance) P-C4' energy: -11.993 flat angles C4'-P-C4' energy: -11.728 flat angles P-C4'-P energy: -9.360 tors. eta vs tors. theta energy: -13.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -165.937737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.937737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.937737 (E_RNA) where: Base-Base interactions energy: -106.726 where: short stacking energy: -63.452 Base-Backbone interact. energy: -0.111 local terms energy: -59.100952 where: bonds (distance) C4'-P energy: -14.823 bonds (distance) P-C4' energy: -7.181 flat angles C4'-P-C4' energy: -13.253 flat angles P-C4'-P energy: -12.325 tors. eta vs tors. theta energy: -11.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -149.918625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.918625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.918625 (E_RNA) where: Base-Base interactions energy: -89.410 where: short stacking energy: -51.466 Base-Backbone interact. energy: -0.100 local terms energy: -60.407885 where: bonds (distance) C4'-P energy: -11.673 bonds (distance) P-C4' energy: -12.863 flat angles C4'-P-C4' energy: -14.270 flat angles P-C4'-P energy: -8.430 tors. eta vs tors. theta energy: -13.172 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: 136 Temperature: 1.050000 Total energy: -136.705256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.705256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.705256 (E_RNA) where: Base-Base interactions energy: -86.218 where: short stacking energy: -49.623 Base-Backbone interact. energy: -0.329 local terms energy: -50.158132 where: bonds (distance) C4'-P energy: -13.775 bonds (distance) P-C4' energy: -10.767 flat angles C4'-P-C4' energy: -12.852 flat angles P-C4'-P energy: -5.304 tors. eta vs tors. theta energy: -7.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -124.011680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.011680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.011680 (E_RNA) where: Base-Base interactions energy: -75.529 where: short stacking energy: -44.630 Base-Backbone interact. energy: -0.059 local terms energy: -48.423791 where: bonds (distance) C4'-P energy: -13.328 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -11.255 flat angles P-C4'-P energy: -6.862 tors. eta vs tors. theta energy: -10.556 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: 8 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -93.247787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.247787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.247787 (E_RNA) where: Base-Base interactions energy: -47.638 where: short stacking energy: -41.220 Base-Backbone interact. energy: -0.117 local terms energy: -45.493021 where: bonds (distance) C4'-P energy: -9.957 bonds (distance) P-C4' energy: -7.840 flat angles C4'-P-C4' energy: -12.331 flat angles P-C4'-P energy: -9.802 tors. eta vs tors. theta energy: -5.562 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: 136 Temperature: 1.200000 Total energy: -90.680592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.680592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.680592 (E_RNA) where: Base-Base interactions energy: -40.717 where: short stacking energy: -40.573 Base-Backbone interact. energy: -0.292 local terms energy: -49.671712 where: bonds (distance) C4'-P energy: -11.787 bonds (distance) P-C4' energy: -13.142 flat angles C4'-P-C4' energy: -13.926 flat angles P-C4'-P energy: -0.850 tors. eta vs tors. theta energy: -9.967 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: 1 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -82.731869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.731869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.731869 (E_RNA) where: Base-Base interactions energy: -34.033 where: short stacking energy: -19.810 Base-Backbone interact. energy: -0.070 local terms energy: -48.628590 where: bonds (distance) C4'-P energy: -14.466 bonds (distance) P-C4' energy: -11.936 flat angles C4'-P-C4' energy: -12.211 flat angles P-C4'-P energy: -8.733 tors. eta vs tors. theta energy: -1.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -85.161674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.161674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.161674 (E_RNA) where: Base-Base interactions energy: -36.714 where: short stacking energy: -36.714 Base-Backbone interact. energy: -0.040 local terms energy: -48.408614 where: bonds (distance) C4'-P energy: -12.144 bonds (distance) P-C4' energy: -13.269 flat angles C4'-P-C4' energy: -11.655 flat angles P-C4'-P energy: -8.569 tors. eta vs tors. theta energy: -2.772 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: 136 Temperature: 1.350000 Total energy: -67.716786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.716786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.716786 (E_RNA) where: Base-Base interactions energy: -20.862 where: short stacking energy: -21.071 Base-Backbone interact. energy: -0.585 local terms energy: -46.269657 where: bonds (distance) C4'-P energy: -11.072 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -13.503 flat angles P-C4'-P energy: -6.297 tors. eta vs tors. theta energy: -0.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -153.683721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.683721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.683721 (E_RNA) where: Base-Base interactions energy: -96.108 where: short stacking energy: -61.739 Base-Backbone interact. energy: -0.001 local terms energy: -57.575511 where: bonds (distance) C4'-P energy: -11.266 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -8.130 flat angles P-C4'-P energy: -9.483 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: 2, replica: 2 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -157.382541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.382541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.382541 (E_RNA) where: Base-Base interactions energy: -91.943 where: short stacking energy: -48.795 Base-Backbone interact. energy: 0.262 local terms energy: -65.701490 where: bonds (distance) C4'-P energy: -14.699 bonds (distance) P-C4' energy: -14.286 flat angles C4'-P-C4' energy: -13.341 flat angles P-C4'-P energy: -11.552 tors. eta vs tors. theta energy: -11.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -137.201759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.201759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.201759 (E_RNA) where: Base-Base interactions energy: -75.700 where: short stacking energy: -43.498 Base-Backbone interact. energy: -0.201 local terms energy: -61.299837 where: bonds (distance) C4'-P energy: -13.768 bonds (distance) P-C4' energy: -12.848 flat angles C4'-P-C4' energy: -13.526 flat angles P-C4'-P energy: -9.675 tors. eta vs tors. theta energy: -11.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -128.791755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.791755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.791755 (E_RNA) where: Base-Base interactions energy: -76.937 where: short stacking energy: -38.564 Base-Backbone interact. energy: -0.213 local terms energy: -51.641515 where: bonds (distance) C4'-P energy: -10.405 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -12.063 flat angles P-C4'-P energy: -7.331 tors. eta vs tors. theta energy: -6.792 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: 7 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -133.817988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.817988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.817988 (E_RNA) where: Base-Base interactions energy: -82.750 where: short stacking energy: -44.657 Base-Backbone interact. energy: -0.537 local terms energy: -50.531452 where: bonds (distance) C4'-P energy: -10.550 bonds (distance) P-C4' energy: -12.355 flat angles C4'-P-C4' energy: -10.887 flat angles P-C4'-P energy: -9.780 tors. eta vs tors. theta energy: -6.960 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: 4 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -98.450324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.450324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.450324 (E_RNA) where: Base-Base interactions energy: -45.171 where: short stacking energy: -42.960 Base-Backbone interact. energy: 0.001 local terms energy: -53.280668 where: bonds (distance) C4'-P energy: -11.750 bonds (distance) P-C4' energy: -12.271 flat angles C4'-P-C4' energy: -9.997 flat angles P-C4'-P energy: -10.676 tors. eta vs tors. theta energy: -8.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -96.757882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.757882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.757882 (E_RNA) where: Base-Base interactions energy: -46.048 where: short stacking energy: -38.657 Base-Backbone interact. energy: -0.146 local terms energy: -50.563400 where: bonds (distance) C4'-P energy: -9.272 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -11.314 flat angles P-C4'-P energy: -8.415 tors. eta vs tors. theta energy: -7.829 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: 10 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -89.464793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.464793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.464793 (E_RNA) where: Base-Base interactions energy: -36.697 where: short stacking energy: -26.201 Base-Backbone interact. energy: -0.263 local terms energy: -52.505315 where: bonds (distance) C4'-P energy: -13.614 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -14.661 flat angles P-C4'-P energy: -8.408 tors. eta vs tors. theta energy: -1.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -84.513424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.513424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.513424 (E_RNA) where: Base-Base interactions energy: -32.512 where: short stacking energy: -27.017 Base-Backbone interact. energy: -0.418 local terms energy: -51.583597 where: bonds (distance) C4'-P energy: -10.972 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -16.097 flat angles P-C4'-P energy: -12.034 tors. eta vs tors. theta energy: 0.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -69.264564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.264564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.264564 (E_RNA) where: Base-Base interactions energy: -25.825 where: short stacking energy: -24.947 Base-Backbone interact. energy: -0.162 local terms energy: -43.278234 where: bonds (distance) C4'-P energy: -8.857 bonds (distance) P-C4' energy: -12.878 flat angles C4'-P-C4' energy: -9.925 flat angles P-C4'-P energy: -8.784 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: 1, replica: 2 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -162.624063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.624063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.624063 (E_RNA) where: Base-Base interactions energy: -97.458 where: short stacking energy: -54.673 Base-Backbone interact. energy: -0.090 local terms energy: -65.076374 where: bonds (distance) C4'-P energy: -13.977 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -15.421 flat angles P-C4'-P energy: -3.879 tors. eta vs tors. theta energy: -16.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -138.242146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.242146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.242146 (E_RNA) where: Base-Base interactions energy: -82.257 where: short stacking energy: -53.349 Base-Backbone interact. energy: -0.023 local terms energy: -55.962110 where: bonds (distance) C4'-P energy: -12.670 bonds (distance) P-C4' energy: -11.453 flat angles C4'-P-C4' energy: -15.122 flat angles P-C4'-P energy: -10.255 tors. eta vs tors. theta energy: -6.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -130.535048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.535048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.535048 (E_RNA) where: Base-Base interactions energy: -78.094 where: short stacking energy: -40.919 Base-Backbone interact. energy: -0.282 local terms energy: -52.159549 where: bonds (distance) C4'-P energy: -11.816 bonds (distance) P-C4' energy: -11.203 flat angles C4'-P-C4' energy: -12.155 flat angles P-C4'-P energy: -9.314 tors. eta vs tors. theta energy: -7.671 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: 5 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -137.319168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.319168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.319168 (E_RNA) where: Base-Base interactions energy: -78.238 where: short stacking energy: -46.792 Base-Backbone interact. energy: -0.098 local terms energy: -58.983438 where: bonds (distance) C4'-P energy: -13.676 bonds (distance) P-C4' energy: -14.135 flat angles C4'-P-C4' energy: -11.364 flat angles P-C4'-P energy: -9.868 tors. eta vs tors. theta energy: -9.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -127.796753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.796753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.796753 (E_RNA) where: Base-Base interactions energy: -82.537 where: short stacking energy: -51.094 Base-Backbone interact. energy: -0.054 local terms energy: -45.205777 where: bonds (distance) C4'-P energy: -8.645 bonds (distance) P-C4' energy: -11.171 flat angles C4'-P-C4' energy: -12.242 flat angles P-C4'-P energy: -6.075 tors. eta vs tors. theta energy: -7.073 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: 6, replica: 4 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -90.544973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.544973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.544973 (E_RNA) where: Base-Base interactions energy: -35.854 where: short stacking energy: -35.854 Base-Backbone interact. energy: -0.049 local terms energy: -54.642088 where: bonds (distance) C4'-P energy: -9.541 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -14.033 flat angles P-C4'-P energy: -9.263 tors. eta vs tors. theta energy: -8.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -91.919752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.919752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.919752 (E_RNA) where: Base-Base interactions energy: -44.064 where: short stacking energy: -44.264 Base-Backbone interact. energy: 0.770 local terms energy: -48.625309 where: bonds (distance) C4'-P energy: -6.650 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -13.836 flat angles P-C4'-P energy: -9.141 tors. eta vs tors. theta energy: -3.737 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: 8 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -84.071028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.071028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.071028 (E_RNA) where: Base-Base interactions energy: -36.393 where: short stacking energy: -35.693 Base-Backbone interact. energy: -0.666 local terms energy: -47.012462 where: bonds (distance) C4'-P energy: -12.790 bonds (distance) P-C4' energy: -9.369 flat angles C4'-P-C4' energy: -13.834 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -6.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -84.002632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.002632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.002632 (E_RNA) where: Base-Base interactions energy: -34.319 where: short stacking energy: -34.319 Base-Backbone interact. energy: -0.084 local terms energy: -49.598753 where: bonds (distance) C4'-P energy: -11.320 bonds (distance) P-C4' energy: -14.691 flat angles C4'-P-C4' energy: -10.096 flat angles P-C4'-P energy: -9.676 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: 1 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -91.915978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.915978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.915978 (E_RNA) where: Base-Base interactions energy: -40.771 where: short stacking energy: -37.928 Base-Backbone interact. energy: -0.085 local terms energy: -51.060163 where: bonds (distance) C4'-P energy: -9.614 bonds (distance) P-C4' energy: -11.130 flat angles C4'-P-C4' energy: -13.604 flat angles P-C4'-P energy: -10.191 tors. eta vs tors. theta energy: -6.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -165.711205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.711205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.711205 (E_RNA) where: Base-Base interactions energy: -98.843 where: short stacking energy: -65.179 Base-Backbone interact. energy: -0.031 local terms energy: -66.837273 where: bonds (distance) C4'-P energy: -12.930 bonds (distance) P-C4' energy: -13.642 flat angles C4'-P-C4' energy: -13.214 flat angles P-C4'-P energy: -10.241 tors. eta vs tors. theta energy: -16.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -150.197204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.197204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.197204 (E_RNA) where: Base-Base interactions energy: -90.435 where: short stacking energy: -60.166 Base-Backbone interact. energy: -0.010 local terms energy: -59.752569 where: bonds (distance) C4'-P energy: -13.821 bonds (distance) P-C4' energy: -13.105 flat angles C4'-P-C4' energy: -13.995 flat angles P-C4'-P energy: -6.596 tors. eta vs tors. theta energy: -12.235 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: 3, replica: 3 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -132.091097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.091097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.091097 (E_RNA) where: Base-Base interactions energy: -76.005 where: short stacking energy: -39.365 Base-Backbone interact. energy: -0.086 local terms energy: -56.000068 where: bonds (distance) C4'-P energy: -9.490 bonds (distance) P-C4' energy: -12.249 flat angles C4'-P-C4' energy: -14.010 flat angles P-C4'-P energy: -11.323 tors. eta vs tors. theta energy: -8.927 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: 7 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -136.086782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.086782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.086782 (E_RNA) where: Base-Base interactions energy: -80.579 where: short stacking energy: -46.975 Base-Backbone interact. energy: -0.213 local terms energy: -55.294676 where: bonds (distance) C4'-P energy: -14.094 bonds (distance) P-C4' energy: -11.532 flat angles C4'-P-C4' energy: -10.151 flat angles P-C4'-P energy: -8.443 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: 5, replica: 5 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -133.353909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.353909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.353909 (E_RNA) where: Base-Base interactions energy: -86.218 where: short stacking energy: -51.397 Base-Backbone interact. energy: -0.000 local terms energy: -47.135580 where: bonds (distance) C4'-P energy: -10.328 bonds (distance) P-C4' energy: -9.637 flat angles C4'-P-C4' energy: -8.253 flat angles P-C4'-P energy: -7.396 tors. eta vs tors. theta energy: -11.522 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: 6, replica: 4 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -96.615045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.615045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.615045 (E_RNA) where: Base-Base interactions energy: -43.768 where: short stacking energy: -43.768 Base-Backbone interact. energy: -0.008 local terms energy: -52.838933 where: bonds (distance) C4'-P energy: -10.878 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -11.857 flat angles P-C4'-P energy: -8.724 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: 7, replica: 10 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -89.030224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.030224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.030224 (E_RNA) where: Base-Base interactions energy: -42.294 where: short stacking energy: -42.294 Base-Backbone interact. energy: -0.215 local terms energy: -46.521817 where: bonds (distance) C4'-P energy: -10.384 bonds (distance) P-C4' energy: -8.247 flat angles C4'-P-C4' energy: -15.530 flat angles P-C4'-P energy: -9.850 tors. eta vs tors. theta energy: -2.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -98.543845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.543845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.543845 (E_RNA) where: Base-Base interactions energy: -48.142 where: short stacking energy: -40.977 Base-Backbone interact. energy: -0.567 local terms energy: -49.835639 where: bonds (distance) C4'-P energy: -10.935 bonds (distance) P-C4' energy: -12.514 flat angles C4'-P-C4' energy: -12.743 flat angles P-C4'-P energy: -5.592 tors. eta vs tors. theta energy: -8.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -80.946698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.946698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.946698 (E_RNA) where: Base-Base interactions energy: -28.027 where: short stacking energy: -26.573 Base-Backbone interact. energy: -0.025 local terms energy: -52.894441 where: bonds (distance) C4'-P energy: -12.558 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -14.171 flat angles P-C4'-P energy: -8.327 tors. eta vs tors. theta energy: -3.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -73.500677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.500677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.500677 (E_RNA) where: Base-Base interactions energy: -31.071 where: short stacking energy: -30.189 Base-Backbone interact. energy: -0.006 local terms energy: -42.424177 where: bonds (distance) C4'-P energy: -9.353 bonds (distance) P-C4' energy: -12.148 flat angles C4'-P-C4' energy: -8.783 flat angles P-C4'-P energy: -6.572 tors. eta vs tors. theta energy: -5.568 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: 140 Temperature: 0.900000 Total energy: -166.229952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.229952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.229952 (E_RNA) where: Base-Base interactions energy: -99.064 where: short stacking energy: -69.383 Base-Backbone interact. energy: -0.004 local terms energy: -67.161785 where: bonds (distance) C4'-P energy: -11.193 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -13.777 flat angles P-C4'-P energy: -10.572 tors. eta vs tors. theta energy: -16.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -165.785865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.785865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.785865 (E_RNA) where: Base-Base interactions energy: -101.196 where: short stacking energy: -64.897 Base-Backbone interact. energy: -0.000 local terms energy: -64.590084 where: bonds (distance) C4'-P energy: -11.983 bonds (distance) P-C4' energy: -13.330 flat angles C4'-P-C4' energy: -16.101 flat angles P-C4'-P energy: -7.964 tors. eta vs tors. theta energy: -15.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -149.525420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.525420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.525420 (E_RNA) where: Base-Base interactions energy: -91.209 where: short stacking energy: -53.036 Base-Backbone interact. energy: -0.567 local terms energy: -57.748981 where: bonds (distance) C4'-P energy: -12.480 bonds (distance) P-C4' energy: -11.927 flat angles C4'-P-C4' energy: -10.911 flat angles P-C4'-P energy: -10.242 tors. eta vs tors. theta energy: -12.189 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: 3 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -138.055969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.055969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.055969 (E_RNA) where: Base-Base interactions energy: -84.428 where: short stacking energy: -52.208 Base-Backbone interact. energy: -0.435 local terms energy: -53.192057 where: bonds (distance) C4'-P energy: -10.351 bonds (distance) P-C4' energy: -12.873 flat angles C4'-P-C4' energy: -10.215 flat angles P-C4'-P energy: -7.014 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: 5, replica: 5 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -126.240897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.240897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.240897 (E_RNA) where: Base-Base interactions energy: -73.289 where: short stacking energy: -45.918 Base-Backbone interact. energy: 0.976 local terms energy: -53.927427 where: bonds (distance) C4'-P energy: -7.508 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -12.245 flat angles P-C4'-P energy: -9.591 tors. eta vs tors. theta energy: -11.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -101.645393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.645393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.645393 (E_RNA) where: Base-Base interactions energy: -45.519 where: short stacking energy: -38.006 Base-Backbone interact. energy: -0.022 local terms energy: -56.104827 where: bonds (distance) C4'-P energy: -12.292 bonds (distance) P-C4' energy: -13.026 flat angles C4'-P-C4' energy: -12.610 flat angles P-C4'-P energy: -9.072 tors. eta vs tors. theta energy: -9.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -83.461735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.461735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.461735 (E_RNA) where: Base-Base interactions energy: -32.917 where: short stacking energy: -31.501 Base-Backbone interact. energy: -0.513 local terms energy: -50.031768 where: bonds (distance) C4'-P energy: -11.574 bonds (distance) P-C4' energy: -13.811 flat angles C4'-P-C4' energy: -12.802 flat angles P-C4'-P energy: -7.466 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: 8, replica: 10 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -88.602229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.602229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.602229 (E_RNA) where: Base-Base interactions energy: -41.351 where: short stacking energy: -36.239 Base-Backbone interact. energy: -0.256 local terms energy: -46.995117 where: bonds (distance) C4'-P energy: -11.706 bonds (distance) P-C4' energy: -12.395 flat angles C4'-P-C4' energy: -13.045 flat angles P-C4'-P energy: -7.137 tors. eta vs tors. theta energy: -2.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -86.730717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.730717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.730717 (E_RNA) where: Base-Base interactions energy: -38.442 where: short stacking energy: -38.442 Base-Backbone interact. energy: -0.038 local terms energy: -48.250875 where: bonds (distance) C4'-P energy: -12.724 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -11.599 flat angles P-C4'-P energy: -2.936 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: 10, replica: 8 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -74.003246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.003246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.003246 (E_RNA) where: Base-Base interactions energy: -32.829 where: short stacking energy: -28.633 Base-Backbone interact. energy: -0.962 local terms energy: -40.212153 where: bonds (distance) C4'-P energy: -9.975 bonds (distance) P-C4' energy: -8.113 flat angles C4'-P-C4' energy: -10.558 flat angles P-C4'-P energy: -8.748 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: 2 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -164.368996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.368996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.368996 (E_RNA) where: Base-Base interactions energy: -105.162 where: short stacking energy: -67.497 Base-Backbone interact. energy: -0.233 local terms energy: -58.974007 where: bonds (distance) C4'-P energy: -11.701 bonds (distance) P-C4' energy: -12.345 flat angles C4'-P-C4' energy: -15.683 flat angles P-C4'-P energy: -7.528 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: 2, replica: 7 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -165.963206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.963206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.963206 (E_RNA) where: Base-Base interactions energy: -99.266 where: short stacking energy: -61.851 Base-Backbone interact. energy: -0.005 local terms energy: -66.692333 where: bonds (distance) C4'-P energy: -15.063 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -14.748 flat angles P-C4'-P energy: -8.243 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: 3, replica: 6 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -152.050606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.050606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.050606 (E_RNA) where: Base-Base interactions energy: -90.011 where: short stacking energy: -60.202 Base-Backbone interact. energy: -0.338 local terms energy: -61.701828 where: bonds (distance) C4'-P energy: -8.273 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -12.739 flat angles P-C4'-P energy: -10.934 tors. eta vs tors. theta energy: -14.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -155.238787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.238787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.238787 (E_RNA) where: Base-Base interactions energy: -100.566 where: short stacking energy: -57.422 Base-Backbone interact. energy: -0.261 local terms energy: -54.411671 where: bonds (distance) C4'-P energy: -10.910 bonds (distance) P-C4' energy: -11.535 flat angles C4'-P-C4' energy: -11.708 flat angles P-C4'-P energy: -9.054 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: 5, replica: 3 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -141.145934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.145934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.145934 (E_RNA) where: Base-Base interactions energy: -90.308 where: short stacking energy: -44.667 Base-Backbone interact. energy: -0.012 local terms energy: -50.825202 where: bonds (distance) C4'-P energy: -12.131 bonds (distance) P-C4' energy: -8.757 flat angles C4'-P-C4' energy: -9.595 flat angles P-C4'-P energy: -8.565 tors. eta vs tors. theta energy: -11.777 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: 9 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -93.198230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.198230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.198230 (E_RNA) where: Base-Base interactions energy: -48.847 where: short stacking energy: -36.530 Base-Backbone interact. energy: 0.070 local terms energy: -44.421129 where: bonds (distance) C4'-P energy: -12.691 bonds (distance) P-C4' energy: -11.987 flat angles C4'-P-C4' energy: -10.870 flat angles P-C4'-P energy: -6.332 tors. eta vs tors. theta energy: -2.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -89.588066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.588066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.588066 (E_RNA) where: Base-Base interactions energy: -39.648 where: short stacking energy: -39.648 Base-Backbone interact. energy: -0.097 local terms energy: -49.843925 where: bonds (distance) C4'-P energy: -11.921 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -12.137 flat angles P-C4'-P energy: -11.342 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: 8, replica: 1 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -82.275607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.275607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.275607 (E_RNA) where: Base-Base interactions energy: -33.400 where: short stacking energy: -31.706 Base-Backbone interact. energy: -0.081 local terms energy: -48.795294 where: bonds (distance) C4'-P energy: -10.152 bonds (distance) P-C4' energy: -14.747 flat angles C4'-P-C4' energy: -10.778 flat angles P-C4'-P energy: -7.866 tors. eta vs tors. theta energy: -5.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -81.612069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.612069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.612069 (E_RNA) where: Base-Base interactions energy: -47.198 where: short stacking energy: -28.970 Base-Backbone interact. energy: 3.759 local terms energy: -38.173314 where: bonds (distance) C4'-P energy: -13.042 bonds (distance) P-C4' energy: -12.366 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -3.795 tors. eta vs tors. theta energy: -2.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -72.987133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.987133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.987133 (E_RNA) where: Base-Base interactions energy: -26.671 where: short stacking energy: -26.671 Base-Backbone interact. energy: -0.405 local terms energy: -45.910607 where: bonds (distance) C4'-P energy: -8.417 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -7.244 flat angles P-C4'-P energy: -9.126 tors. eta vs tors. theta energy: -5.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -151.477402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.477402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.477402 (E_RNA) where: Base-Base interactions energy: -89.017 where: short stacking energy: -55.269 Base-Backbone interact. energy: -0.110 local terms energy: -62.350876 where: bonds (distance) C4'-P energy: -13.142 bonds (distance) P-C4' energy: -13.839 flat angles C4'-P-C4' energy: -14.511 flat angles P-C4'-P energy: -9.045 tors. eta vs tors. theta energy: -11.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -164.370970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.370970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.370970 (E_RNA) where: Base-Base interactions energy: -102.957 where: short stacking energy: -62.539 Base-Backbone interact. energy: -0.010 local terms energy: -61.403835 where: bonds (distance) C4'-P energy: -11.672 bonds (distance) P-C4' energy: -12.250 flat angles C4'-P-C4' energy: -14.961 flat angles P-C4'-P energy: -7.666 tors. eta vs tors. theta energy: -14.854 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: 5 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -159.361180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.361180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.361180 (E_RNA) where: Base-Base interactions energy: -100.363 where: short stacking energy: -56.209 Base-Backbone interact. energy: -0.205 local terms energy: -58.793285 where: bonds (distance) C4'-P energy: -12.844 bonds (distance) P-C4' energy: -11.109 flat angles C4'-P-C4' energy: -13.003 flat angles P-C4'-P energy: -10.652 tors. eta vs tors. theta energy: -11.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -133.249633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.249633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.249633 (E_RNA) where: Base-Base interactions energy: -81.554 where: short stacking energy: -46.000 Base-Backbone interact. energy: -0.156 local terms energy: -51.539760 where: bonds (distance) C4'-P energy: -11.486 bonds (distance) P-C4' energy: -12.648 flat angles C4'-P-C4' energy: -11.579 flat angles P-C4'-P energy: -8.169 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: 5, replica: 3 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -135.809978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.809978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.809978 (E_RNA) where: Base-Base interactions energy: -77.723 where: short stacking energy: -53.561 Base-Backbone interact. energy: 1.209 local terms energy: -59.295422 where: bonds (distance) C4'-P energy: -11.171 bonds (distance) P-C4' energy: -10.279 flat angles C4'-P-C4' energy: -14.537 flat angles P-C4'-P energy: -10.931 tors. eta vs tors. theta energy: -12.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -100.324662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.324662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.324662 (E_RNA) where: Base-Base interactions energy: -40.875 where: short stacking energy: -37.587 Base-Backbone interact. energy: -0.166 local terms energy: -59.283064 where: bonds (distance) C4'-P energy: -11.578 bonds (distance) P-C4' energy: -13.161 flat angles C4'-P-C4' energy: -14.394 flat angles P-C4'-P energy: -9.169 tors. eta vs tors. theta energy: -10.981 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: 1 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -91.907657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.907657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.907657 (E_RNA) where: Base-Base interactions energy: -39.070 where: short stacking energy: -39.070 Base-Backbone interact. energy: -0.029 local terms energy: -52.808075 where: bonds (distance) C4'-P energy: -14.633 bonds (distance) P-C4' energy: -13.544 flat angles C4'-P-C4' energy: -13.973 flat angles P-C4'-P energy: -8.486 tors. eta vs tors. theta energy: -2.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -88.622253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.622253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.622253 (E_RNA) where: Base-Base interactions energy: -49.444 where: short stacking energy: -38.684 Base-Backbone interact. energy: -0.164 local terms energy: -39.013779 where: bonds (distance) C4'-P energy: -5.722 bonds (distance) P-C4' energy: -10.097 flat angles C4'-P-C4' energy: -11.197 flat angles P-C4'-P energy: -8.379 tors. eta vs tors. theta energy: -3.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -71.741690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.741690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.741690 (E_RNA) where: Base-Base interactions energy: -27.904 where: short stacking energy: -27.130 Base-Backbone interact. energy: -0.202 local terms energy: -43.635590 where: bonds (distance) C4'-P energy: -9.106 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -9.625 flat angles P-C4'-P energy: -9.097 tors. eta vs tors. theta energy: -3.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -78.575796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.575796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.575796 (E_RNA) where: Base-Base interactions energy: -34.553 where: short stacking energy: -28.867 Base-Backbone interact. energy: 0.072 local terms energy: -44.095041 where: bonds (distance) C4'-P energy: -11.280 bonds (distance) P-C4' energy: -10.995 flat angles C4'-P-C4' energy: -11.795 flat angles P-C4'-P energy: -5.185 tors. eta vs tors. theta energy: -4.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -152.546185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.546185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.546185 (E_RNA) where: Base-Base interactions energy: -91.559 where: short stacking energy: -56.795 Base-Backbone interact. energy: -0.067 local terms energy: -60.920115 where: bonds (distance) C4'-P energy: -12.885 bonds (distance) P-C4' energy: -10.597 flat angles C4'-P-C4' energy: -13.961 flat angles P-C4'-P energy: -10.977 tors. eta vs tors. theta energy: -12.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -147.148561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.148561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.148561 (E_RNA) where: Base-Base interactions energy: -90.620 where: short stacking energy: -49.650 Base-Backbone interact. energy: -1.101 local terms energy: -55.427101 where: bonds (distance) C4'-P energy: -14.574 bonds (distance) P-C4' energy: -11.907 flat angles C4'-P-C4' energy: -8.233 flat angles P-C4'-P energy: -9.852 tors. eta vs tors. theta energy: -10.861 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: 5 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -140.518604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.518604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.518604 (E_RNA) where: Base-Base interactions energy: -81.713 where: short stacking energy: -45.448 Base-Backbone interact. energy: -0.050 local terms energy: -58.755465 where: bonds (distance) C4'-P energy: -13.258 bonds (distance) P-C4' energy: -12.756 flat angles C4'-P-C4' energy: -10.577 flat angles P-C4'-P energy: -9.819 tors. eta vs tors. theta energy: -12.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -142.025648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.025648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.025648 (E_RNA) where: Base-Base interactions energy: -90.531 where: short stacking energy: -50.810 Base-Backbone interact. energy: -0.466 local terms energy: -51.028722 where: bonds (distance) C4'-P energy: -10.632 bonds (distance) P-C4' energy: -11.943 flat angles C4'-P-C4' energy: -12.229 flat angles P-C4'-P energy: -8.859 tors. eta vs tors. theta energy: -7.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -128.261977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.261977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.261977 (E_RNA) where: Base-Base interactions energy: -76.685 where: short stacking energy: -44.936 Base-Backbone interact. energy: -0.116 local terms energy: -51.461223 where: bonds (distance) C4'-P energy: -11.510 bonds (distance) P-C4' energy: -9.930 flat angles C4'-P-C4' energy: -11.381 flat angles P-C4'-P energy: -8.601 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: 6, replica: 9 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -89.372332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.372332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.372332 (E_RNA) where: Base-Base interactions energy: -42.469 where: short stacking energy: -42.469 Base-Backbone interact. energy: -0.104 local terms energy: -46.799237 where: bonds (distance) C4'-P energy: -10.513 bonds (distance) P-C4' energy: -10.459 flat angles C4'-P-C4' energy: -12.958 flat angles P-C4'-P energy: -5.657 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: 7, replica: 1 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -91.696387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.696387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.696387 (E_RNA) where: Base-Base interactions energy: -45.452 where: short stacking energy: -40.000 Base-Backbone interact. energy: -0.056 local terms energy: -46.189162 where: bonds (distance) C4'-P energy: -10.922 bonds (distance) P-C4' energy: -13.033 flat angles C4'-P-C4' energy: -7.680 flat angles P-C4'-P energy: -8.396 tors. eta vs tors. theta energy: -6.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -77.433103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.433103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.433103 (E_RNA) where: Base-Base interactions energy: -41.245 where: short stacking energy: -34.373 Base-Backbone interact. energy: -0.410 local terms energy: -35.777823 where: bonds (distance) C4'-P energy: -4.568 bonds (distance) P-C4' energy: -10.369 flat angles C4'-P-C4' energy: -8.949 flat angles P-C4'-P energy: -4.116 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: 4 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -103.694186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.694186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.694186 (E_RNA) where: Base-Base interactions energy: -57.493 where: short stacking energy: -31.982 Base-Backbone interact. energy: 0.468 local terms energy: -46.668656 where: bonds (distance) C4'-P energy: -8.886 bonds (distance) P-C4' energy: -14.740 flat angles C4'-P-C4' energy: -9.906 flat angles P-C4'-P energy: -7.666 tors. eta vs tors. theta energy: -5.471 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: 143 Temperature: 1.350000 Total energy: -71.534180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.534180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.534180 (E_RNA) where: Base-Base interactions energy: -27.973 where: short stacking energy: -26.438 Base-Backbone interact. energy: 0.216 local terms energy: -43.777452 where: bonds (distance) C4'-P energy: -10.152 bonds (distance) P-C4' energy: -12.252 flat angles C4'-P-C4' energy: -10.624 flat angles P-C4'-P energy: -4.969 tors. eta vs tors. theta energy: -5.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -160.694464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.694464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.694464 (E_RNA) where: Base-Base interactions energy: -97.204 where: short stacking energy: -63.007 Base-Backbone interact. energy: -0.034 local terms energy: -63.456361 where: bonds (distance) C4'-P energy: -12.202 bonds (distance) P-C4' energy: -14.261 flat angles C4'-P-C4' energy: -13.134 flat angles P-C4'-P energy: -11.465 tors. eta vs tors. theta energy: -12.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -144.958583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.958583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.958583 (E_RNA) where: Base-Base interactions energy: -79.760 where: short stacking energy: -52.486 Base-Backbone interact. energy: -0.001 local terms energy: -65.197072 where: bonds (distance) C4'-P energy: -13.605 bonds (distance) P-C4' energy: -16.432 flat angles C4'-P-C4' energy: -13.123 flat angles P-C4'-P energy: -9.871 tors. eta vs tors. theta energy: -12.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -147.247493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.247493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.247493 (E_RNA) where: Base-Base interactions energy: -92.625 where: short stacking energy: -52.463 Base-Backbone interact. energy: -0.001 local terms energy: -54.621899 where: bonds (distance) C4'-P energy: -14.840 bonds (distance) P-C4' energy: -12.039 flat angles C4'-P-C4' energy: -7.302 flat angles P-C4'-P energy: -8.790 tors. eta vs tors. theta energy: -11.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -150.469039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.469039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.469039 (E_RNA) where: Base-Base interactions energy: -88.190 where: short stacking energy: -56.448 Base-Backbone interact. energy: -0.001 local terms energy: -62.278010 where: bonds (distance) C4'-P energy: -15.303 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -12.139 flat angles P-C4'-P energy: -6.765 tors. eta vs tors. theta energy: -14.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -129.715911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.715911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.715911 (E_RNA) where: Base-Base interactions energy: -69.416 where: short stacking energy: -41.815 Base-Backbone interact. energy: -0.003 local terms energy: -60.296798 where: bonds (distance) C4'-P energy: -15.125 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -9.767 flat angles P-C4'-P energy: -11.129 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: 6, replica: 9 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -95.079212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.079212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.079212 (E_RNA) where: Base-Base interactions energy: -42.769 where: short stacking energy: -42.769 Base-Backbone interact. energy: -0.035 local terms energy: -52.275391 where: bonds (distance) C4'-P energy: -9.308 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -10.034 flat angles P-C4'-P energy: -10.417 tors. eta vs tors. theta energy: -8.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -90.479332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.479332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.479332 (E_RNA) where: Base-Base interactions energy: -42.885 where: short stacking energy: -37.207 Base-Backbone interact. energy: -0.258 local terms energy: -47.336897 where: bonds (distance) C4'-P energy: -9.628 bonds (distance) P-C4' energy: -11.629 flat angles C4'-P-C4' energy: -13.335 flat angles P-C4'-P energy: -6.587 tors. eta vs tors. theta energy: -6.158 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: 1 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -81.709812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.709812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.709812 (E_RNA) where: Base-Base interactions energy: -37.310 where: short stacking energy: -32.123 Base-Backbone interact. energy: -0.141 local terms energy: -44.259048 where: bonds (distance) C4'-P energy: -13.021 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -5.084 flat angles P-C4'-P energy: -9.853 tors. eta vs tors. theta energy: -2.567 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: 10 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -78.237501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.237501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.237501 (E_RNA) where: Base-Base interactions energy: -32.021 where: short stacking energy: -27.120 Base-Backbone interact. energy: -0.503 local terms energy: -45.713633 where: bonds (distance) C4'-P energy: -9.744 bonds (distance) P-C4' energy: -10.003 flat angles C4'-P-C4' energy: -12.804 flat angles P-C4'-P energy: -9.821 tors. eta vs tors. theta energy: -3.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -102.693611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.693611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.693611 (E_RNA) where: Base-Base interactions energy: -61.668 where: short stacking energy: -36.173 Base-Backbone interact. energy: -0.145 local terms energy: -40.880596 where: bonds (distance) C4'-P energy: -8.204 bonds (distance) P-C4' energy: -13.969 flat angles C4'-P-C4' energy: -8.362 flat angles P-C4'-P energy: -6.864 tors. eta vs tors. theta energy: -3.480 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: 2 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -170.951800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.951800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.951800 (E_RNA) where: Base-Base interactions energy: -102.922 where: short stacking energy: -67.329 Base-Backbone interact. energy: -0.095 local terms energy: -67.934927 where: bonds (distance) C4'-P energy: -11.768 bonds (distance) P-C4' energy: -14.293 flat angles C4'-P-C4' energy: -13.974 flat angles P-C4'-P energy: -13.589 tors. eta vs tors. theta energy: -14.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -161.033100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.033100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.033100 (E_RNA) where: Base-Base interactions energy: -98.068 where: short stacking energy: -62.686 Base-Backbone interact. energy: -0.280 local terms energy: -62.685136 where: bonds (distance) C4'-P energy: -15.054 bonds (distance) P-C4' energy: -12.366 flat angles C4'-P-C4' energy: -12.573 flat angles P-C4'-P energy: -9.124 tors. eta vs tors. theta energy: -13.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -145.106471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.106471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.106471 (E_RNA) where: Base-Base interactions energy: -87.939 where: short stacking energy: -54.493 Base-Backbone interact. energy: -0.865 local terms energy: -56.302579 where: bonds (distance) C4'-P energy: -12.070 bonds (distance) P-C4' energy: -12.782 flat angles C4'-P-C4' energy: -11.629 flat angles P-C4'-P energy: -8.890 tors. eta vs tors. theta energy: -10.932 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: 4, replica: 5 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -150.443147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.443147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.443147 (E_RNA) where: Base-Base interactions energy: -93.720 where: short stacking energy: -61.717 Base-Backbone interact. energy: -0.091 local terms energy: -56.631812 where: bonds (distance) C4'-P energy: -9.262 bonds (distance) P-C4' energy: -11.656 flat angles C4'-P-C4' energy: -13.939 flat angles P-C4'-P energy: -8.081 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: 5, replica: 6 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -122.524599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.524599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.524599 (E_RNA) where: Base-Base interactions energy: -72.898 where: short stacking energy: -48.297 Base-Backbone interact. energy: 0.121 local terms energy: -49.748363 where: bonds (distance) C4'-P energy: -9.946 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -10.160 flat angles P-C4'-P energy: -9.747 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: 8 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -117.372976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.372976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.372976 (E_RNA) where: Base-Base interactions energy: -71.447 where: short stacking energy: -43.797 Base-Backbone interact. energy: -0.124 local terms energy: -45.801802 where: bonds (distance) C4'-P energy: -9.367 bonds (distance) P-C4' energy: -12.927 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: -5.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -85.393994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.393994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.393994 (E_RNA) where: Base-Base interactions energy: -41.512 where: short stacking energy: -41.512 Base-Backbone interact. energy: -0.186 local terms energy: -43.695699 where: bonds (distance) C4'-P energy: -11.371 bonds (distance) P-C4' energy: -13.160 flat angles C4'-P-C4' energy: -7.655 flat angles P-C4'-P energy: -5.771 tors. eta vs tors. theta energy: -5.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -77.975092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.975092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.975092 (E_RNA) where: Base-Base interactions energy: -31.195 where: short stacking energy: -31.018 Base-Backbone interact. energy: -0.109 local terms energy: -46.670614 where: bonds (distance) C4'-P energy: -11.614 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -12.587 flat angles P-C4'-P energy: -7.576 tors. eta vs tors. theta energy: -0.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -77.669363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.669363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.669363 (E_RNA) where: Base-Base interactions energy: -29.115 where: short stacking energy: -26.266 Base-Backbone interact. energy: -0.051 local terms energy: -48.503247 where: bonds (distance) C4'-P energy: -12.815 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -12.446 flat angles P-C4'-P energy: -5.364 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: 10, replica: 4 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -74.089746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.089746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.089746 (E_RNA) where: Base-Base interactions energy: -30.990 where: short stacking energy: -30.819 Base-Backbone interact. energy: -0.095 local terms energy: -43.005273 where: bonds (distance) C4'-P energy: -10.672 bonds (distance) P-C4' energy: -11.711 flat angles C4'-P-C4' energy: -8.122 flat angles P-C4'-P energy: -10.982 tors. eta vs tors. theta energy: -1.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -164.044588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.044588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.044588 (E_RNA) where: Base-Base interactions energy: -99.172 where: short stacking energy: -57.802 Base-Backbone interact. energy: -0.198 local terms energy: -64.674199 where: bonds (distance) C4'-P energy: -15.311 bonds (distance) P-C4' energy: -13.127 flat angles C4'-P-C4' energy: -12.787 flat angles P-C4'-P energy: -11.755 tors. eta vs tors. theta energy: -11.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -144.243619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.243619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.243619 (E_RNA) where: Base-Base interactions energy: -87.861 where: short stacking energy: -48.749 Base-Backbone interact. energy: -0.840 local terms energy: -55.543015 where: bonds (distance) C4'-P energy: -11.431 bonds (distance) P-C4' energy: -14.826 flat angles C4'-P-C4' energy: -11.267 flat angles P-C4'-P energy: -10.338 tors. eta vs tors. theta energy: -7.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -160.729783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.729783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.729783 (E_RNA) where: Base-Base interactions energy: -98.114 where: short stacking energy: -67.647 Base-Backbone interact. energy: -0.775 local terms energy: -61.840684 where: bonds (distance) C4'-P energy: -10.033 bonds (distance) P-C4' energy: -10.318 flat angles C4'-P-C4' energy: -13.700 flat angles P-C4'-P energy: -9.390 tors. eta vs tors. theta energy: -18.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -145.206595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.206595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.206595 (E_RNA) where: Base-Base interactions energy: -87.469 where: short stacking energy: -56.398 Base-Backbone interact. energy: -0.031 local terms energy: -57.706586 where: bonds (distance) C4'-P energy: -13.071 bonds (distance) P-C4' energy: -10.503 flat angles C4'-P-C4' energy: -14.079 flat angles P-C4'-P energy: -6.347 tors. eta vs tors. theta energy: -13.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -142.648018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.648018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.648018 (E_RNA) where: Base-Base interactions energy: -82.378 where: short stacking energy: -57.864 Base-Backbone interact. energy: -0.014 local terms energy: -60.256562 where: bonds (distance) C4'-P energy: -11.930 bonds (distance) P-C4' energy: -11.253 flat angles C4'-P-C4' energy: -13.079 flat angles P-C4'-P energy: -9.370 tors. eta vs tors. theta energy: -14.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -126.623973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.623973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.623973 (E_RNA) where: Base-Base interactions energy: -73.152 where: short stacking energy: -39.460 Base-Backbone interact. energy: -1.953 local terms energy: -51.518971 where: bonds (distance) C4'-P energy: -14.272 bonds (distance) P-C4' energy: -12.140 flat angles C4'-P-C4' energy: -13.052 flat angles P-C4'-P energy: -5.088 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: 7, replica: 10 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -97.300765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.300765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.300765 (E_RNA) where: Base-Base interactions energy: -42.764 where: short stacking energy: -40.760 Base-Backbone interact. energy: -0.012 local terms energy: -54.524917 where: bonds (distance) C4'-P energy: -10.683 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -13.743 flat angles P-C4'-P energy: -7.339 tors. eta vs tors. theta energy: -9.023 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: 9 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -76.009535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.009535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.009535 (E_RNA) where: Base-Base interactions energy: -28.203 where: short stacking energy: -26.717 Base-Backbone interact. energy: 0.976 local terms energy: -48.782633 where: bonds (distance) C4'-P energy: -10.133 bonds (distance) P-C4' energy: -15.973 flat angles C4'-P-C4' energy: -11.890 flat angles P-C4'-P energy: -8.766 tors. eta vs tors. theta energy: -2.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -75.127993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.127993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.127993 (E_RNA) where: Base-Base interactions energy: -30.177 where: short stacking energy: -27.644 Base-Backbone interact. energy: -0.869 local terms energy: -44.082250 where: bonds (distance) C4'-P energy: -10.849 bonds (distance) P-C4' energy: -13.773 flat angles C4'-P-C4' energy: -11.400 flat angles P-C4'-P energy: -7.708 tors. eta vs tors. theta energy: -0.351 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: 10, replica: 1 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -72.929373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.929373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.929373 (E_RNA) where: Base-Base interactions energy: -28.916 where: short stacking energy: -27.029 Base-Backbone interact. energy: -0.145 local terms energy: -43.868476 where: bonds (distance) C4'-P energy: -10.500 bonds (distance) P-C4' energy: -12.696 flat angles C4'-P-C4' energy: -12.835 flat angles P-C4'-P energy: -7.771 tors. eta vs tors. theta energy: -0.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -167.399961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.399961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.399961 (E_RNA) where: Base-Base interactions energy: -97.793 where: short stacking energy: -61.653 Base-Backbone interact. energy: -0.077 local terms energy: -69.530161 where: bonds (distance) C4'-P energy: -14.351 bonds (distance) P-C4' energy: -13.394 flat angles C4'-P-C4' energy: -13.550 flat angles P-C4'-P energy: -11.803 tors. eta vs tors. theta energy: -16.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -162.071385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.071385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.071385 (E_RNA) where: Base-Base interactions energy: -99.364 where: short stacking energy: -64.760 Base-Backbone interact. energy: 0.957 local terms energy: -63.664508 where: bonds (distance) C4'-P energy: -10.150 bonds (distance) P-C4' energy: -10.164 flat angles C4'-P-C4' energy: -16.154 flat angles P-C4'-P energy: -10.162 tors. eta vs tors. theta energy: -17.035 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: 3 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -141.778147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.778147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.778147 (E_RNA) where: Base-Base interactions energy: -83.515 where: short stacking energy: -54.620 Base-Backbone interact. energy: -0.548 local terms energy: -57.715118 where: bonds (distance) C4'-P energy: -11.035 bonds (distance) P-C4' energy: -12.663 flat angles C4'-P-C4' energy: -11.718 flat angles P-C4'-P energy: -10.544 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: 6 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -133.362071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.362071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.362071 (E_RNA) where: Base-Base interactions energy: -78.654 where: short stacking energy: -49.657 Base-Backbone interact. energy: -0.034 local terms energy: -54.673886 where: bonds (distance) C4'-P energy: -10.120 bonds (distance) P-C4' energy: -10.908 flat angles C4'-P-C4' energy: -12.958 flat angles P-C4'-P energy: -9.299 tors. eta vs tors. theta energy: -11.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -136.000402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.000402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.000402 (E_RNA) where: Base-Base interactions energy: -77.780 where: short stacking energy: -48.041 Base-Backbone interact. energy: -0.017 local terms energy: -58.204061 where: bonds (distance) C4'-P energy: -11.991 bonds (distance) P-C4' energy: -14.270 flat angles C4'-P-C4' energy: -12.606 flat angles P-C4'-P energy: -9.361 tors. eta vs tors. theta energy: -9.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -93.607046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.607046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.607046 (E_RNA) where: Base-Base interactions energy: -39.105 where: short stacking energy: -39.105 Base-Backbone interact. energy: -0.103 local terms energy: -54.399120 where: bonds (distance) C4'-P energy: -12.239 bonds (distance) P-C4' energy: -12.964 flat angles C4'-P-C4' energy: -10.322 flat angles P-C4'-P energy: -7.864 tors. eta vs tors. theta energy: -11.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -122.642765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.642765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.642765 (E_RNA) where: Base-Base interactions energy: -69.406 where: short stacking energy: -43.762 Base-Backbone interact. energy: -0.168 local terms energy: -53.068596 where: bonds (distance) C4'-P energy: -13.648 bonds (distance) P-C4' energy: -7.011 flat angles C4'-P-C4' energy: -11.208 flat angles P-C4'-P energy: -10.663 tors. eta vs tors. theta energy: -10.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -73.907447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.907447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.907447 (E_RNA) where: Base-Base interactions energy: -30.472 where: short stacking energy: -30.472 Base-Backbone interact. energy: -0.027 local terms energy: -43.409061 where: bonds (distance) C4'-P energy: -9.478 bonds (distance) P-C4' energy: -13.396 flat angles C4'-P-C4' energy: -9.644 flat angles P-C4'-P energy: -8.503 tors. eta vs tors. theta energy: -2.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -79.362787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.362787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.362787 (E_RNA) where: Base-Base interactions energy: -39.048 where: short stacking energy: -26.929 Base-Backbone interact. energy: -0.145 local terms energy: -40.169056 where: bonds (distance) C4'-P energy: -11.967 bonds (distance) P-C4' energy: -8.782 flat angles C4'-P-C4' energy: -12.208 flat angles P-C4'-P energy: -1.748 tors. eta vs tors. theta energy: -5.463 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: 1 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -77.258481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.258481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.258481 (E_RNA) where: Base-Base interactions energy: -37.504 where: short stacking energy: -34.830 Base-Backbone interact. energy: -0.664 local terms energy: -39.090172 where: bonds (distance) C4'-P energy: -9.834 bonds (distance) P-C4' energy: -14.041 flat angles C4'-P-C4' energy: -8.559 flat angles P-C4'-P energy: -1.014 tors. eta vs tors. theta energy: -5.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -165.472319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.472319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.472319 (E_RNA) where: Base-Base interactions energy: -105.581 where: short stacking energy: -56.823 Base-Backbone interact. energy: -0.460 local terms energy: -59.431085 where: bonds (distance) C4'-P energy: -12.869 bonds (distance) P-C4' energy: -12.024 flat angles C4'-P-C4' energy: -12.593 flat angles P-C4'-P energy: -8.938 tors. eta vs tors. theta energy: -13.007 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: 2, replica: 2 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -158.620391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.620391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.620391 (E_RNA) where: Base-Base interactions energy: -102.351 where: short stacking energy: -61.695 Base-Backbone interact. energy: 0.178 local terms energy: -56.447807 where: bonds (distance) C4'-P energy: -13.213 bonds (distance) P-C4' energy: -9.630 flat angles C4'-P-C4' energy: -10.656 flat angles P-C4'-P energy: -9.407 tors. eta vs tors. theta energy: -13.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -143.944544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.944544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.944544 (E_RNA) where: Base-Base interactions energy: -85.336 where: short stacking energy: -47.380 Base-Backbone interact. energy: -0.520 local terms energy: -58.088230 where: bonds (distance) C4'-P energy: -14.781 bonds (distance) P-C4' energy: -11.954 flat angles C4'-P-C4' energy: -13.697 flat angles P-C4'-P energy: -6.157 tors. eta vs tors. theta energy: -11.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -135.436798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.436798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.436798 (E_RNA) where: Base-Base interactions energy: -78.609 where: short stacking energy: -46.465 Base-Backbone interact. energy: -0.031 local terms energy: -56.796436 where: bonds (distance) C4'-P energy: -10.198 bonds (distance) P-C4' energy: -13.069 flat angles C4'-P-C4' energy: -15.653 flat angles P-C4'-P energy: -7.926 tors. eta vs tors. theta energy: -9.950 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: 5, replica: 7 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -143.226461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.226461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.226461 (E_RNA) where: Base-Base interactions energy: -94.067 where: short stacking energy: -59.231 Base-Backbone interact. energy: 0.346 local terms energy: -49.505353 where: bonds (distance) C4'-P energy: -13.402 bonds (distance) P-C4' energy: -13.902 flat angles C4'-P-C4' energy: -11.143 flat angles P-C4'-P energy: -0.838 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: 10 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -97.602783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.602783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.602783 (E_RNA) where: Base-Base interactions energy: -44.482 where: short stacking energy: -39.585 Base-Backbone interact. energy: -0.754 local terms energy: -52.366313 where: bonds (distance) C4'-P energy: -7.415 bonds (distance) P-C4' energy: -13.701 flat angles C4'-P-C4' energy: -10.325 flat angles P-C4'-P energy: -10.821 tors. eta vs tors. theta energy: -10.104 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: 148 Temperature: 1.200000 Total energy: -138.317401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.317401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.317401 (E_RNA) where: Base-Base interactions energy: -80.661 where: short stacking energy: -50.613 Base-Backbone interact. energy: -1.662 local terms energy: -55.994365 where: bonds (distance) C4'-P energy: -10.376 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -12.785 flat angles P-C4'-P energy: -7.546 tors. eta vs tors. theta energy: -11.364 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: 8, replica: 4 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -84.213406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.213406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.213406 (E_RNA) where: Base-Base interactions energy: -39.945 where: short stacking energy: -39.945 Base-Backbone interact. energy: -0.004 local terms energy: -44.264404 where: bonds (distance) C4'-P energy: -6.733 bonds (distance) P-C4' energy: -14.231 flat angles C4'-P-C4' energy: -9.240 flat angles P-C4'-P energy: -10.112 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: 9, replica: 1 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -91.121006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.121006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.121006 (E_RNA) where: Base-Base interactions energy: -39.569 where: short stacking energy: -39.569 Base-Backbone interact. energy: -1.010 local terms energy: -50.541532 where: bonds (distance) C4'-P energy: -12.753 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -9.284 flat angles P-C4'-P energy: -10.690 tors. eta vs tors. theta energy: -4.976 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: 10, replica: 9 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -76.155559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.155559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.155559 (E_RNA) where: Base-Base interactions energy: -33.056 where: short stacking energy: -31.153 Base-Backbone interact. energy: -0.045 local terms energy: -43.054024 where: bonds (distance) C4'-P energy: -12.541 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -8.162 flat angles P-C4'-P energy: -7.806 tors. eta vs tors. theta energy: -8.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -167.777966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.777966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.777966 (E_RNA) where: Base-Base interactions energy: -102.467 where: short stacking energy: -62.365 Base-Backbone interact. energy: -0.037 local terms energy: -65.273768 where: bonds (distance) C4'-P energy: -14.512 bonds (distance) P-C4' energy: -13.391 flat angles C4'-P-C4' energy: -11.257 flat angles P-C4'-P energy: -9.347 tors. eta vs tors. theta energy: -16.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -150.455345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.455345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.455345 (E_RNA) where: Base-Base interactions energy: -96.403 where: short stacking energy: -59.480 Base-Backbone interact. energy: -0.094 local terms energy: -53.958228 where: bonds (distance) C4'-P energy: -12.632 bonds (distance) P-C4' energy: -11.337 flat angles C4'-P-C4' energy: -10.955 flat angles P-C4'-P energy: -7.048 tors. eta vs tors. theta energy: -11.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -164.737183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.737183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.737183 (E_RNA) where: Base-Base interactions energy: -97.446 where: short stacking energy: -60.902 Base-Backbone interact. energy: -0.001 local terms energy: -67.289915 where: bonds (distance) C4'-P energy: -13.014 bonds (distance) P-C4' energy: -14.332 flat angles C4'-P-C4' energy: -13.875 flat angles P-C4'-P energy: -11.233 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: 4, replica: 7 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -145.960699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.960699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.960699 (E_RNA) where: Base-Base interactions energy: -88.495 where: short stacking energy: -55.769 Base-Backbone interact. energy: 0.370 local terms energy: -57.835883 where: bonds (distance) C4'-P energy: -12.036 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -13.688 flat angles P-C4'-P energy: -7.489 tors. eta vs tors. theta energy: -10.198 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: 6 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -139.730172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.730172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.730172 (E_RNA) where: Base-Base interactions energy: -80.370 where: short stacking energy: -53.058 Base-Backbone interact. energy: -0.003 local terms energy: -59.356822 where: bonds (distance) C4'-P energy: -9.914 bonds (distance) P-C4' energy: -14.676 flat angles C4'-P-C4' energy: -13.239 flat angles P-C4'-P energy: -10.849 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: 6, replica: 8 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -136.340300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.340300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.340300 (E_RNA) where: Base-Base interactions energy: -79.925 where: short stacking energy: -46.561 Base-Backbone interact. energy: -0.603 local terms energy: -55.812282 where: bonds (distance) C4'-P energy: -13.369 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -12.654 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -10.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -85.364405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.364405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.364405 (E_RNA) where: Base-Base interactions energy: -37.691 where: short stacking energy: -35.215 Base-Backbone interact. energy: -0.710 local terms energy: -46.964187 where: bonds (distance) C4'-P energy: -14.123 bonds (distance) P-C4' energy: -11.824 flat angles C4'-P-C4' energy: -10.603 flat angles P-C4'-P energy: -7.234 tors. eta vs tors. theta energy: -3.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -82.928694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.928694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.928694 (E_RNA) where: Base-Base interactions energy: -51.043 where: short stacking energy: -27.552 Base-Backbone interact. energy: 0.392 local terms energy: -32.277071 where: bonds (distance) C4'-P energy: -9.026 bonds (distance) P-C4' energy: -9.300 flat angles C4'-P-C4' energy: -9.929 flat angles P-C4'-P energy: -1.514 tors. eta vs tors. theta energy: -2.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -81.440764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.440764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.440764 (E_RNA) where: Base-Base interactions energy: -34.953 where: short stacking energy: -34.953 Base-Backbone interact. energy: -0.094 local terms energy: -46.393632 where: bonds (distance) C4'-P energy: -9.060 bonds (distance) P-C4' energy: -12.338 flat angles C4'-P-C4' energy: -10.888 flat angles P-C4'-P energy: -8.781 tors. eta vs tors. theta energy: -5.327 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: 149 Temperature: 1.350000 Total energy: -68.019219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.019219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.019219 (E_RNA) where: Base-Base interactions energy: -21.842 where: short stacking energy: -21.307 Base-Backbone interact. energy: -0.138 local terms energy: -46.039240 where: bonds (distance) C4'-P energy: -9.237 bonds (distance) P-C4' energy: -12.678 flat angles C4'-P-C4' energy: -13.527 flat angles P-C4'-P energy: -9.108 tors. eta vs tors. theta energy: -1.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -155.303787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.303787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.303787 (E_RNA) where: Base-Base interactions energy: -87.984 where: short stacking energy: -60.944 Base-Backbone interact. energy: -0.035 local terms energy: -67.284746 where: bonds (distance) C4'-P energy: -12.903 bonds (distance) P-C4' energy: -12.652 flat angles C4'-P-C4' energy: -12.710 flat angles P-C4'-P energy: -10.021 tors. eta vs tors. theta energy: -18.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -160.623996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.623996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.623996 (E_RNA) where: Base-Base interactions energy: -97.382 where: short stacking energy: -61.565 Base-Backbone interact. energy: -0.286 local terms energy: -62.956021 where: bonds (distance) C4'-P energy: -13.355 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -12.347 flat angles P-C4'-P energy: -8.785 tors. eta vs tors. theta energy: -15.616 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: 7 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -127.673822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.673822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.673822 (E_RNA) where: Base-Base interactions energy: -75.492 where: short stacking energy: -50.355 Base-Backbone interact. energy: -0.297 local terms energy: -51.884891 where: bonds (distance) C4'-P energy: -10.786 bonds (distance) P-C4' energy: -7.381 flat angles C4'-P-C4' energy: -15.157 flat angles P-C4'-P energy: -10.974 tors. eta vs tors. theta energy: -7.588 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: 150 Temperature: 1.050000 Total energy: -136.081218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.081218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.081218 (E_RNA) where: Base-Base interactions energy: -73.301 where: short stacking energy: -43.988 Base-Backbone interact. energy: -0.056 local terms energy: -62.724610 where: bonds (distance) C4'-P energy: -14.380 bonds (distance) P-C4' energy: -14.170 flat angles C4'-P-C4' energy: -14.909 flat angles P-C4'-P energy: -10.918 tors. eta vs tors. theta energy: -8.348 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: 8 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -125.559718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.559718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.559718 (E_RNA) where: Base-Base interactions energy: -66.315 where: short stacking energy: -39.433 Base-Backbone interact. energy: -0.736 local terms energy: -58.508898 where: bonds (distance) C4'-P energy: -14.326 bonds (distance) P-C4' energy: -13.096 flat angles C4'-P-C4' energy: -13.698 flat angles P-C4'-P energy: -10.370 tors. eta vs tors. theta energy: -7.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -139.615705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.615705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.615705 (E_RNA) where: Base-Base interactions energy: -89.725 where: short stacking energy: -49.104 Base-Backbone interact. energy: -0.009 local terms energy: -49.881714 where: bonds (distance) C4'-P energy: -9.610 bonds (distance) P-C4' energy: -11.697 flat angles C4'-P-C4' energy: -9.881 flat angles P-C4'-P energy: -5.740 tors. eta vs tors. theta energy: -12.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -85.936441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.936441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.936441 (E_RNA) where: Base-Base interactions energy: -38.419 where: short stacking energy: -38.619 Base-Backbone interact. energy: -0.049 local terms energy: -47.468059 where: bonds (distance) C4'-P energy: -9.756 bonds (distance) P-C4' energy: -13.025 flat angles C4'-P-C4' energy: -11.945 flat angles P-C4'-P energy: -3.671 tors. eta vs tors. theta energy: -9.070 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: 10 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -88.542150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.542150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.542150 (E_RNA) where: Base-Base interactions energy: -32.792 where: short stacking energy: -31.890 Base-Backbone interact. energy: -0.026 local terms energy: -55.724443 where: bonds (distance) C4'-P energy: -10.766 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -12.231 flat angles P-C4'-P energy: -6.661 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: 9, replica: 4 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -85.399231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.399231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.399231 (E_RNA) where: Base-Base interactions energy: -43.424 where: short stacking energy: -27.206 Base-Backbone interact. energy: -0.074 local terms energy: -41.901498 where: bonds (distance) C4'-P energy: -10.654 bonds (distance) P-C4' energy: -11.256 flat angles C4'-P-C4' energy: -12.866 flat angles P-C4'-P energy: -6.682 tors. eta vs tors. theta energy: -0.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -74.647531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.647531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.647531 (E_RNA) where: Base-Base interactions energy: -30.315 where: short stacking energy: -26.600 Base-Backbone interact. energy: -0.188 local terms energy: -44.144064 where: bonds (distance) C4'-P energy: -13.518 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -8.876 flat angles P-C4'-P energy: -4.937 tors. eta vs tors. theta energy: -3.977 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: 3 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -154.272372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.272372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.272372 (E_RNA) where: Base-Base interactions energy: -90.005 where: short stacking energy: -59.484 Base-Backbone interact. energy: 1.093 local terms energy: -65.360447 where: bonds (distance) C4'-P energy: -12.919 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -13.804 flat angles P-C4'-P energy: -10.724 tors. eta vs tors. theta energy: -14.592 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: 151 Temperature: 0.950000 Total energy: -160.241968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.241968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.241968 (E_RNA) where: Base-Base interactions energy: -95.845 where: short stacking energy: -59.875 Base-Backbone interact. energy: -0.008 local terms energy: -64.389171 where: bonds (distance) C4'-P energy: -10.773 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -14.781 flat angles P-C4'-P energy: -10.989 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: 3, replica: 7 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -145.186188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.186188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.186188 (E_RNA) where: Base-Base interactions energy: -92.040 where: short stacking energy: -56.763 Base-Backbone interact. energy: -0.046 local terms energy: -53.100421 where: bonds (distance) C4'-P energy: -12.501 bonds (distance) P-C4' energy: -12.798 flat angles C4'-P-C4' energy: -11.585 flat angles P-C4'-P energy: -7.859 tors. eta vs tors. theta energy: -8.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -147.839107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.839107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.839107 (E_RNA) where: Base-Base interactions energy: -90.776 where: short stacking energy: -52.390 Base-Backbone interact. energy: 0.671 local terms energy: -57.733400 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -14.965 flat angles C4'-P-C4' energy: -14.210 flat angles P-C4'-P energy: -10.920 tors. eta vs tors. theta energy: -10.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -124.346722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.346722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.346722 (E_RNA) where: Base-Base interactions energy: -74.130 where: short stacking energy: -43.920 Base-Backbone interact. energy: -0.485 local terms energy: -49.731865 where: bonds (distance) C4'-P energy: -13.771 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -12.612 flat angles P-C4'-P energy: -9.858 tors. eta vs tors. theta energy: -4.925 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: 6, replica: 6 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -122.714933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.714933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.714933 (E_RNA) where: Base-Base interactions energy: -69.048 where: short stacking energy: -41.511 Base-Backbone interact. energy: -1.474 local terms energy: -52.193211 where: bonds (distance) C4'-P energy: -12.682 bonds (distance) P-C4' energy: -12.307 flat angles C4'-P-C4' energy: -12.321 flat angles P-C4'-P energy: -8.266 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: 7, replica: 1 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -91.966038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.966038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.966038 (E_RNA) where: Base-Base interactions energy: -38.095 where: short stacking energy: -38.095 Base-Backbone interact. energy: -0.053 local terms energy: -53.817917 where: bonds (distance) C4'-P energy: -13.324 bonds (distance) P-C4' energy: -11.578 flat angles C4'-P-C4' energy: -12.774 flat angles P-C4'-P energy: -5.686 tors. eta vs tors. theta energy: -10.456 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: 4 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -73.914640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.914640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.914640 (E_RNA) where: Base-Base interactions energy: -29.588 where: short stacking energy: -26.891 Base-Backbone interact. energy: -1.243 local terms energy: -43.083990 where: bonds (distance) C4'-P energy: -11.564 bonds (distance) P-C4' energy: -13.229 flat angles C4'-P-C4' energy: -12.927 flat angles P-C4'-P energy: -5.629 tors. eta vs tors. theta energy: 0.265 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: 9, replica: 10 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -83.613100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.613100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.613100 (E_RNA) where: Base-Base interactions energy: -35.091 where: short stacking energy: -35.081 Base-Backbone interact. energy: -0.264 local terms energy: -48.258141 where: bonds (distance) C4'-P energy: -9.878 bonds (distance) P-C4' energy: -14.418 flat angles C4'-P-C4' energy: -9.599 flat angles P-C4'-P energy: -5.286 tors. eta vs tors. theta energy: -9.077 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: 9 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -71.954341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.954341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.954341 (E_RNA) where: Base-Base interactions energy: -32.468 where: short stacking energy: -32.468 Base-Backbone interact. energy: 1.001 local terms energy: -40.487310 where: bonds (distance) C4'-P energy: -12.224 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -12.406 flat angles P-C4'-P energy: 1.183 tors. eta vs tors. theta energy: -3.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -170.565604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.565604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.565604 (E_RNA) where: Base-Base interactions energy: -100.945 where: short stacking energy: -70.548 Base-Backbone interact. energy: -0.014 local terms energy: -69.606590 where: bonds (distance) C4'-P energy: -11.143 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -16.479 flat angles P-C4'-P energy: -9.562 tors. eta vs tors. theta energy: -16.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -144.129358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.129358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.129358 (E_RNA) where: Base-Base interactions energy: -82.082 where: short stacking energy: -57.320 Base-Backbone interact. energy: -0.013 local terms energy: -62.033903 where: bonds (distance) C4'-P energy: -14.434 bonds (distance) P-C4' energy: -14.432 flat angles C4'-P-C4' energy: -14.139 flat angles P-C4'-P energy: -7.339 tors. eta vs tors. theta energy: -11.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -155.764776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.764776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.764776 (E_RNA) where: Base-Base interactions energy: -93.556 where: short stacking energy: -53.888 Base-Backbone interact. energy: -0.418 local terms energy: -61.791497 where: bonds (distance) C4'-P energy: -13.383 bonds (distance) P-C4' energy: -15.248 flat angles C4'-P-C4' energy: -12.834 flat angles P-C4'-P energy: -10.553 tors. eta vs tors. theta energy: -9.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -149.136052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.136052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.136052 (E_RNA) where: Base-Base interactions energy: -89.198 where: short stacking energy: -53.108 Base-Backbone interact. energy: -0.296 local terms energy: -59.641987 where: bonds (distance) C4'-P energy: -13.448 bonds (distance) P-C4' energy: -11.376 flat angles C4'-P-C4' energy: -14.831 flat angles P-C4'-P energy: -7.437 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: 5, replica: 6 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -134.746595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.746595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.746595 (E_RNA) where: Base-Base interactions energy: -80.861 where: short stacking energy: -44.749 Base-Backbone interact. energy: -0.028 local terms energy: -53.857913 where: bonds (distance) C4'-P energy: -12.389 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -11.040 flat angles P-C4'-P energy: -8.856 tors. eta vs tors. theta energy: -8.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -128.534924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.534924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.534924 (E_RNA) where: Base-Base interactions energy: -76.370 where: short stacking energy: -48.905 Base-Backbone interact. energy: -0.092 local terms energy: -52.073374 where: bonds (distance) C4'-P energy: -11.246 bonds (distance) P-C4' energy: -16.492 flat angles C4'-P-C4' energy: -11.300 flat angles P-C4'-P energy: -5.142 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: 7, replica: 4 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -86.613309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.613309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.613309 (E_RNA) where: Base-Base interactions energy: -38.855 where: short stacking energy: -38.855 Base-Backbone interact. energy: -0.000 local terms energy: -47.757550 where: bonds (distance) C4'-P energy: -8.260 bonds (distance) P-C4' energy: -12.229 flat angles C4'-P-C4' energy: -9.666 flat angles P-C4'-P energy: -5.117 tors. eta vs tors. theta energy: -12.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -88.223852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.223852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.223852 (E_RNA) where: Base-Base interactions energy: -38.650 where: short stacking energy: -23.543 Base-Backbone interact. energy: -0.850 local terms energy: -48.724442 where: bonds (distance) C4'-P energy: -13.631 bonds (distance) P-C4' energy: -13.056 flat angles C4'-P-C4' energy: -8.594 flat angles P-C4'-P energy: -11.552 tors. eta vs tors. theta energy: -1.891 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: 9 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -72.547085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.547085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.547085 (E_RNA) where: Base-Base interactions energy: -30.391 where: short stacking energy: -28.687 Base-Backbone interact. energy: -0.271 local terms energy: -41.884812 where: bonds (distance) C4'-P energy: -12.148 bonds (distance) P-C4' energy: -10.976 flat angles C4'-P-C4' energy: -8.241 flat angles P-C4'-P energy: -6.771 tors. eta vs tors. theta energy: -3.748 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: 10 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -83.213960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.213960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.213960 (E_RNA) where: Base-Base interactions energy: -38.203 where: short stacking energy: -38.203 Base-Backbone interact. energy: -0.119 local terms energy: -44.892419 where: bonds (distance) C4'-P energy: -8.807 bonds (distance) P-C4' energy: -15.756 flat angles C4'-P-C4' energy: -14.998 flat angles P-C4'-P energy: -3.706 tors. eta vs tors. theta energy: -1.625 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: 5 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -159.052404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.052404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.052404 (E_RNA) where: Base-Base interactions energy: -96.455 where: short stacking energy: -59.061 Base-Backbone interact. energy: -0.016 local terms energy: -62.582030 where: bonds (distance) C4'-P energy: -12.575 bonds (distance) P-C4' energy: -14.694 flat angles C4'-P-C4' energy: -14.388 flat angles P-C4'-P energy: -8.286 tors. eta vs tors. theta energy: -12.639 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: 3 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -145.049076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.049076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.049076 (E_RNA) where: Base-Base interactions energy: -88.983 where: short stacking energy: -56.233 Base-Backbone interact. energy: 1.068 local terms energy: -57.133534 where: bonds (distance) C4'-P energy: -10.965 bonds (distance) P-C4' energy: -14.995 flat angles C4'-P-C4' energy: -13.375 flat angles P-C4'-P energy: -8.968 tors. eta vs tors. theta energy: -8.831 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: 8 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -158.231601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.231601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.231601 (E_RNA) where: Base-Base interactions energy: -96.346 where: short stacking energy: -54.741 Base-Backbone interact. energy: -0.003 local terms energy: -61.883103 where: bonds (distance) C4'-P energy: -13.275 bonds (distance) P-C4' energy: -15.103 flat angles C4'-P-C4' energy: -14.373 flat angles P-C4'-P energy: -8.627 tors. eta vs tors. theta energy: -10.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -149.136239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.136239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.136239 (E_RNA) where: Base-Base interactions energy: -86.272 where: short stacking energy: -52.957 Base-Backbone interact. energy: -0.002 local terms energy: -62.861791 where: bonds (distance) C4'-P energy: -12.550 bonds (distance) P-C4' energy: -12.443 flat angles C4'-P-C4' energy: -14.871 flat angles P-C4'-P energy: -9.321 tors. eta vs tors. theta energy: -13.677 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: 5, replica: 6 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -135.368450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.368450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.368450 (E_RNA) where: Base-Base interactions energy: -78.910 where: short stacking energy: -48.019 Base-Backbone interact. energy: 0.531 local terms energy: -56.989466 where: bonds (distance) C4'-P energy: -11.937 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -12.201 flat angles P-C4'-P energy: -8.349 tors. eta vs tors. theta energy: -9.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -87.181540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.181540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.181540 (E_RNA) where: Base-Base interactions energy: -38.232 where: short stacking energy: -38.232 Base-Backbone interact. energy: -0.069 local terms energy: -48.880474 where: bonds (distance) C4'-P energy: -7.301 bonds (distance) P-C4' energy: -13.949 flat angles C4'-P-C4' energy: -13.923 flat angles P-C4'-P energy: -5.986 tors. eta vs tors. theta energy: -7.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -121.701091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.701091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.701091 (E_RNA) where: Base-Base interactions energy: -68.256 where: short stacking energy: -36.165 Base-Backbone interact. energy: -0.383 local terms energy: -53.062402 where: bonds (distance) C4'-P energy: -11.093 bonds (distance) P-C4' energy: -14.205 flat angles C4'-P-C4' energy: -10.747 flat angles P-C4'-P energy: -8.730 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: 8, replica: 9 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -94.044285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.044285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.044285 (E_RNA) where: Base-Base interactions energy: -41.371 where: short stacking energy: -41.371 Base-Backbone interact. energy: -0.001 local terms energy: -52.672515 where: bonds (distance) C4'-P energy: -15.381 bonds (distance) P-C4' energy: -13.278 flat angles C4'-P-C4' energy: -9.881 flat angles P-C4'-P energy: -5.130 tors. eta vs tors. theta energy: -9.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -106.507577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.507577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.507577 (E_RNA) where: Base-Base interactions energy: -60.542 where: short stacking energy: -38.046 Base-Backbone interact. energy: -0.910 local terms energy: -45.055617 where: bonds (distance) C4'-P energy: -11.688 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -9.504 flat angles P-C4'-P energy: -6.391 tors. eta vs tors. theta energy: -3.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -73.879911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.879911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.879911 (E_RNA) where: Base-Base interactions energy: -31.661 where: short stacking energy: -31.661 Base-Backbone interact. energy: 1.603 local terms energy: -43.822120 where: bonds (distance) C4'-P energy: -14.107 bonds (distance) P-C4' energy: -11.861 flat angles C4'-P-C4' energy: -10.244 flat angles P-C4'-P energy: -6.696 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: 1, replica: 3 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -154.236166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.236166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.236166 (E_RNA) where: Base-Base interactions energy: -95.129 where: short stacking energy: -61.133 Base-Backbone interact. energy: -0.034 local terms energy: -59.073300 where: bonds (distance) C4'-P energy: -10.392 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -13.021 flat angles P-C4'-P energy: -8.629 tors. eta vs tors. theta energy: -13.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -161.201327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.201327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.201327 (E_RNA) where: Base-Base interactions energy: -98.465 where: short stacking energy: -66.335 Base-Backbone interact. energy: -0.127 local terms energy: -62.609378 where: bonds (distance) C4'-P energy: -12.504 bonds (distance) P-C4' energy: -13.913 flat angles C4'-P-C4' energy: -12.739 flat angles P-C4'-P energy: -6.487 tors. eta vs tors. theta energy: -16.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -142.076544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.076544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.076544 (E_RNA) where: Base-Base interactions energy: -86.719 where: short stacking energy: -47.356 Base-Backbone interact. energy: -0.050 local terms energy: -55.306781 where: bonds (distance) C4'-P energy: -12.185 bonds (distance) P-C4' energy: -12.830 flat angles C4'-P-C4' energy: -16.263 flat angles P-C4'-P energy: -5.642 tors. eta vs tors. theta energy: -8.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -140.526556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.526556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.526556 (E_RNA) where: Base-Base interactions energy: -88.836 where: short stacking energy: -54.814 Base-Backbone interact. energy: -0.178 local terms energy: -51.512657 where: bonds (distance) C4'-P energy: -10.145 bonds (distance) P-C4' energy: -7.844 flat angles C4'-P-C4' energy: -14.331 flat angles P-C4'-P energy: -9.385 tors. eta vs tors. theta energy: -9.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -147.037179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.037179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.037179 (E_RNA) where: Base-Base interactions energy: -93.166 where: short stacking energy: -59.601 Base-Backbone interact. energy: -0.011 local terms energy: -53.860242 where: bonds (distance) C4'-P energy: -8.961 bonds (distance) P-C4' energy: -13.489 flat angles C4'-P-C4' energy: -13.140 flat angles P-C4'-P energy: -6.880 tors. eta vs tors. theta energy: -11.391 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: 4 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -94.519972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.519972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.519972 (E_RNA) where: Base-Base interactions energy: -39.661 where: short stacking energy: -39.661 Base-Backbone interact. energy: -0.175 local terms energy: -54.684173 where: bonds (distance) C4'-P energy: -11.630 bonds (distance) P-C4' energy: -12.898 flat angles C4'-P-C4' energy: -12.266 flat angles P-C4'-P energy: -9.479 tors. eta vs tors. theta energy: -8.411 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: 2 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -109.393549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.393549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.393549 (E_RNA) where: Base-Base interactions energy: -67.368 where: short stacking energy: -36.433 Base-Backbone interact. energy: -0.100 local terms energy: -41.925551 where: bonds (distance) C4'-P energy: -11.912 bonds (distance) P-C4' energy: -10.939 flat angles C4'-P-C4' energy: -8.773 flat angles P-C4'-P energy: -6.699 tors. eta vs tors. theta energy: -3.602 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: 154 Temperature: 1.250000 Total energy: -83.074646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.074646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.074646 (E_RNA) where: Base-Base interactions energy: -35.894 where: short stacking energy: -31.905 Base-Backbone interact. energy: 0.947 local terms energy: -48.126969 where: bonds (distance) C4'-P energy: -10.977 bonds (distance) P-C4' energy: -10.286 flat angles C4'-P-C4' energy: -11.545 flat angles P-C4'-P energy: -10.967 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: 9, replica: 1 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -84.591891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.591891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.591891 (E_RNA) where: Base-Base interactions energy: -31.713 where: short stacking energy: -31.713 Base-Backbone interact. energy: -0.597 local terms energy: -52.281915 where: bonds (distance) C4'-P energy: -10.380 bonds (distance) P-C4' energy: -12.750 flat angles C4'-P-C4' energy: -12.362 flat angles P-C4'-P energy: -10.365 tors. eta vs tors. theta energy: -6.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -75.814466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.814466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.814466 (E_RNA) where: Base-Base interactions energy: -28.287 where: short stacking energy: -26.375 Base-Backbone interact. energy: -0.318 local terms energy: -47.209832 where: bonds (distance) C4'-P energy: -13.075 bonds (distance) P-C4' energy: -11.923 flat angles C4'-P-C4' energy: -8.371 flat angles P-C4'-P energy: -8.746 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: 1, replica: 3 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -157.646591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.646591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.646591 (E_RNA) where: Base-Base interactions energy: -91.739 where: short stacking energy: -60.190 Base-Backbone interact. energy: -0.002 local terms energy: -65.905077 where: bonds (distance) C4'-P energy: -11.875 bonds (distance) P-C4' energy: -15.213 flat angles C4'-P-C4' energy: -10.750 flat angles P-C4'-P energy: -12.725 tors. eta vs tors. theta energy: -15.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -154.171857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.171857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.171857 (E_RNA) where: Base-Base interactions energy: -99.782 where: short stacking energy: -56.497 Base-Backbone interact. energy: -0.099 local terms energy: -54.290978 where: bonds (distance) C4'-P energy: -10.092 bonds (distance) P-C4' energy: -11.936 flat angles C4'-P-C4' energy: -15.043 flat angles P-C4'-P energy: -4.449 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: 5 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -150.161484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.161484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.161484 (E_RNA) where: Base-Base interactions energy: -89.638 where: short stacking energy: -58.537 Base-Backbone interact. energy: -0.468 local terms energy: -60.055534 where: bonds (distance) C4'-P energy: -11.137 bonds (distance) P-C4' energy: -12.806 flat angles C4'-P-C4' energy: -10.596 flat angles P-C4'-P energy: -10.103 tors. eta vs tors. theta energy: -15.414 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: 6 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -141.712359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.712359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.712359 (E_RNA) where: Base-Base interactions energy: -86.732 where: short stacking energy: -49.373 Base-Backbone interact. energy: -0.003 local terms energy: -54.976759 where: bonds (distance) C4'-P energy: -7.474 bonds (distance) P-C4' energy: -15.273 flat angles C4'-P-C4' energy: -14.322 flat angles P-C4'-P energy: -9.842 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: 5, replica: 7 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -131.600651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.600651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.600651 (E_RNA) where: Base-Base interactions energy: -74.534 where: short stacking energy: -52.224 Base-Backbone interact. energy: -0.036 local terms energy: -57.030511 where: bonds (distance) C4'-P energy: -14.085 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -10.221 flat angles P-C4'-P energy: -11.959 tors. eta vs tors. theta energy: -7.227 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: 6, replica: 2 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -100.431297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.431297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.431297 (E_RNA) where: Base-Base interactions energy: -53.921 where: short stacking energy: -40.973 Base-Backbone interact. energy: -0.088 local terms energy: -46.422734 where: bonds (distance) C4'-P energy: -10.771 bonds (distance) P-C4' energy: -12.077 flat angles C4'-P-C4' energy: -14.662 flat angles P-C4'-P energy: -6.805 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: 7, replica: 4 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -86.727896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.727896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.727896 (E_RNA) where: Base-Base interactions energy: -39.546 where: short stacking energy: -39.139 Base-Backbone interact. energy: -0.080 local terms energy: -47.102746 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -13.309 flat angles P-C4'-P energy: -6.866 tors. eta vs tors. theta energy: -4.602 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: 155 Temperature: 1.250000 Total energy: -75.710308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.710308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.710308 (E_RNA) where: Base-Base interactions energy: -29.435 where: short stacking energy: -28.639 Base-Backbone interact. energy: -0.051 local terms energy: -46.224938 where: bonds (distance) C4'-P energy: -9.337 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -11.107 flat angles P-C4'-P energy: -7.903 tors. eta vs tors. theta energy: -4.399 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: 1 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -78.320847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.320847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.320847 (E_RNA) where: Base-Base interactions energy: -30.945 where: short stacking energy: -26.813 Base-Backbone interact. energy: -0.114 local terms energy: -47.262250 where: bonds (distance) C4'-P energy: -14.931 bonds (distance) P-C4' energy: -13.969 flat angles C4'-P-C4' energy: -10.298 flat angles P-C4'-P energy: -6.000 tors. eta vs tors. theta energy: -2.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -68.550762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.550762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.550762 (E_RNA) where: Base-Base interactions energy: -21.491 where: short stacking energy: -21.491 Base-Backbone interact. energy: -0.121 local terms energy: -46.939204 where: bonds (distance) C4'-P energy: -13.209 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -4.978 tors. eta vs tors. theta energy: -1.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -159.868947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.868947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.868947 (E_RNA) where: Base-Base interactions energy: -94.894 where: short stacking energy: -52.592 Base-Backbone interact. energy: -0.702 local terms energy: -64.273198 where: bonds (distance) C4'-P energy: -14.065 bonds (distance) P-C4' energy: -10.900 flat angles C4'-P-C4' energy: -13.790 flat angles P-C4'-P energy: -11.594 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: 3 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -156.318556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.318556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.318556 (E_RNA) where: Base-Base interactions energy: -92.931 where: short stacking energy: -57.798 Base-Backbone interact. energy: -0.193 local terms energy: -63.194513 where: bonds (distance) C4'-P energy: -12.222 bonds (distance) P-C4' energy: -14.138 flat angles C4'-P-C4' energy: -12.123 flat angles P-C4'-P energy: -10.987 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: 3, replica: 6 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -151.911659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.911659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.911659 (E_RNA) where: Base-Base interactions energy: -89.285 where: short stacking energy: -59.472 Base-Backbone interact. energy: -0.027 local terms energy: -62.600340 where: bonds (distance) C4'-P energy: -14.272 bonds (distance) P-C4' energy: -13.045 flat angles C4'-P-C4' energy: -13.447 flat angles P-C4'-P energy: -8.732 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: 4, replica: 5 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -148.535347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.535347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.535347 (E_RNA) where: Base-Base interactions energy: -94.941 where: short stacking energy: -65.629 Base-Backbone interact. energy: -0.290 local terms energy: -53.304028 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -13.019 flat angles C4'-P-C4' energy: -10.877 flat angles P-C4'-P energy: -6.489 tors. eta vs tors. theta energy: -15.619 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: 2 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -93.907399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.907399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.907399 (E_RNA) where: Base-Base interactions energy: -54.635 where: short stacking energy: -36.772 Base-Backbone interact. energy: -1.014 local terms energy: -38.258652 where: bonds (distance) C4'-P energy: -3.873 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -11.527 flat angles P-C4'-P energy: -6.190 tors. eta vs tors. theta energy: -1.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -133.647718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.647718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.647718 (E_RNA) where: Base-Base interactions energy: -81.646 where: short stacking energy: -50.560 Base-Backbone interact. energy: -0.009 local terms energy: -51.993466 where: bonds (distance) C4'-P energy: -14.284 bonds (distance) P-C4' energy: -6.903 flat angles C4'-P-C4' energy: -12.555 flat angles P-C4'-P energy: -8.113 tors. eta vs tors. theta energy: -10.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -88.182478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.182478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.182478 (E_RNA) where: Base-Base interactions energy: -38.581 where: short stacking energy: -33.849 Base-Backbone interact. energy: -0.142 local terms energy: -49.459576 where: bonds (distance) C4'-P energy: -14.122 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -9.457 flat angles P-C4'-P energy: -7.292 tors. eta vs tors. theta energy: -3.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -81.434463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.434463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.434463 (E_RNA) where: Base-Base interactions energy: -38.010 where: short stacking energy: -35.907 Base-Backbone interact. energy: -0.309 local terms energy: -43.115207 where: bonds (distance) C4'-P energy: -9.980 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -10.799 flat angles P-C4'-P energy: -5.032 tors. eta vs tors. theta energy: -3.775 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: 10 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -74.586523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.586523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.586523 (E_RNA) where: Base-Base interactions energy: -28.430 where: short stacking energy: -23.500 Base-Backbone interact. energy: -0.408 local terms energy: -45.748362 where: bonds (distance) C4'-P energy: -10.617 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -11.018 flat angles P-C4'-P energy: -7.021 tors. eta vs tors. theta energy: -2.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -90.965690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.965690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.965690 (E_RNA) where: Base-Base interactions energy: -41.069 where: short stacking energy: -37.069 Base-Backbone interact. energy: -0.098 local terms energy: -49.799298 where: bonds (distance) C4'-P energy: -13.009 bonds (distance) P-C4' energy: -15.809 flat angles C4'-P-C4' energy: -10.735 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: -5.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -153.633509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.633509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.633509 (E_RNA) where: Base-Base interactions energy: -91.083 where: short stacking energy: -58.238 Base-Backbone interact. energy: -0.043 local terms energy: -62.507204 where: bonds (distance) C4'-P energy: -11.466 bonds (distance) P-C4' energy: -15.513 flat angles C4'-P-C4' energy: -13.521 flat angles P-C4'-P energy: -6.842 tors. eta vs tors. theta energy: -15.165 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: 6 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -150.075517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.075517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.075517 (E_RNA) where: Base-Base interactions energy: -90.369 where: short stacking energy: -51.568 Base-Backbone interact. energy: -0.030 local terms energy: -59.676516 where: bonds (distance) C4'-P energy: -15.163 bonds (distance) P-C4' energy: -9.243 flat angles C4'-P-C4' energy: -14.518 flat angles P-C4'-P energy: -9.847 tors. eta vs tors. theta energy: -10.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -155.172556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.172556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.172556 (E_RNA) where: Base-Base interactions energy: -92.666 where: short stacking energy: -52.497 Base-Backbone interact. energy: -0.086 local terms energy: -62.420543 where: bonds (distance) C4'-P energy: -14.136 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -13.511 flat angles P-C4'-P energy: -6.645 tors. eta vs tors. theta energy: -14.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -134.335237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.335237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.335237 (E_RNA) where: Base-Base interactions energy: -81.922 where: short stacking energy: -53.462 Base-Backbone interact. energy: -0.592 local terms energy: -51.821152 where: bonds (distance) C4'-P energy: -9.077 bonds (distance) P-C4' energy: -13.684 flat angles C4'-P-C4' energy: -14.441 flat angles P-C4'-P energy: -8.422 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: 5, replica: 2 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -111.763055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.763055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.763055 (E_RNA) where: Base-Base interactions energy: -54.709 where: short stacking energy: -54.709 Base-Backbone interact. energy: -0.039 local terms energy: -57.015885 where: bonds (distance) C4'-P energy: -8.244 bonds (distance) P-C4' energy: -12.548 flat angles C4'-P-C4' energy: -13.026 flat angles P-C4'-P energy: -11.849 tors. eta vs tors. theta energy: -11.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -138.089861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.089861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.089861 (E_RNA) where: Base-Base interactions energy: -89.324 where: short stacking energy: -58.821 Base-Backbone interact. energy: -0.280 local terms energy: -48.485083 where: bonds (distance) C4'-P energy: -4.382 bonds (distance) P-C4' energy: -8.099 flat angles C4'-P-C4' energy: -13.993 flat angles P-C4'-P energy: -8.507 tors. eta vs tors. theta energy: -13.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -86.526447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.526447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.526447 (E_RNA) where: Base-Base interactions energy: -40.580 where: short stacking energy: -40.580 Base-Backbone interact. energy: -0.156 local terms energy: -45.790878 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -12.905 flat angles C4'-P-C4' energy: -10.424 flat angles P-C4'-P energy: -9.070 tors. eta vs tors. theta energy: -5.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -80.602652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.602652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.602652 (E_RNA) where: Base-Base interactions energy: -29.416 where: short stacking energy: -26.807 Base-Backbone interact. energy: 0.484 local terms energy: -51.671176 where: bonds (distance) C4'-P energy: -12.058 bonds (distance) P-C4' energy: -15.739 flat angles C4'-P-C4' energy: -12.024 flat angles P-C4'-P energy: -10.216 tors. eta vs tors. theta energy: -1.634 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: 4 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -75.750172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.750172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.750172 (E_RNA) where: Base-Base interactions energy: -21.330 where: short stacking energy: -20.032 Base-Backbone interact. energy: -0.094 local terms energy: -54.326228 where: bonds (distance) C4'-P energy: -12.094 bonds (distance) P-C4' energy: -13.878 flat angles C4'-P-C4' energy: -14.127 flat angles P-C4'-P energy: -9.946 tors. eta vs tors. theta energy: -4.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -84.933491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.933491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.933491 (E_RNA) where: Base-Base interactions energy: -31.838 where: short stacking energy: -29.080 Base-Backbone interact. energy: -0.453 local terms energy: -52.642310 where: bonds (distance) C4'-P energy: -13.944 bonds (distance) P-C4' energy: -14.145 flat angles C4'-P-C4' energy: -9.049 flat angles P-C4'-P energy: -7.995 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: 1, replica: 6 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -157.527359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.527359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.527359 (E_RNA) where: Base-Base interactions energy: -94.966 where: short stacking energy: -58.882 Base-Backbone interact. energy: -0.000 local terms energy: -62.561164 where: bonds (distance) C4'-P energy: -12.562 bonds (distance) P-C4' energy: -14.343 flat angles C4'-P-C4' energy: -14.652 flat angles P-C4'-P energy: -7.822 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: 2, replica: 8 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -152.641836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.641836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.641836 (E_RNA) where: Base-Base interactions energy: -90.577 where: short stacking energy: -54.703 Base-Backbone interact. energy: -0.004 local terms energy: -62.060780 where: bonds (distance) C4'-P energy: -12.426 bonds (distance) P-C4' energy: -14.084 flat angles C4'-P-C4' energy: -12.809 flat angles P-C4'-P energy: -12.693 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: 3, replica: 5 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -141.283263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.283263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.283263 (E_RNA) where: Base-Base interactions energy: -82.625 where: short stacking energy: -52.021 Base-Backbone interact. energy: -0.066 local terms energy: -58.592906 where: bonds (distance) C4'-P energy: -11.284 bonds (distance) P-C4' energy: -14.794 flat angles C4'-P-C4' energy: -13.839 flat angles P-C4'-P energy: -7.990 tors. eta vs tors. theta energy: -10.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -155.189334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.189334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.189334 (E_RNA) where: Base-Base interactions energy: -99.026 where: short stacking energy: -64.065 Base-Backbone interact. energy: -0.001 local terms energy: -56.162375 where: bonds (distance) C4'-P energy: -13.200 bonds (distance) P-C4' energy: -11.933 flat angles C4'-P-C4' energy: -10.887 flat angles P-C4'-P energy: -8.672 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: 158 Temperature: 1.100000 Total energy: -129.909152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.909152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.909152 (E_RNA) where: Base-Base interactions energy: -72.564 where: short stacking energy: -51.524 Base-Backbone interact. energy: -0.168 local terms energy: -57.176339 where: bonds (distance) C4'-P energy: -10.583 bonds (distance) P-C4' energy: -13.609 flat angles C4'-P-C4' energy: -13.000 flat angles P-C4'-P energy: -7.899 tors. eta vs tors. theta energy: -12.085 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: 2 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -102.057124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.057124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.057124 (E_RNA) where: Base-Base interactions energy: -47.439 where: short stacking energy: -46.528 Base-Backbone interact. energy: -0.116 local terms energy: -54.502075 where: bonds (distance) C4'-P energy: -12.532 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -11.734 flat angles P-C4'-P energy: -8.904 tors. eta vs tors. theta energy: -7.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -102.227790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.227790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.227790 (E_RNA) where: Base-Base interactions energy: -46.715 where: short stacking energy: -38.031 Base-Backbone interact. energy: -0.117 local terms energy: -55.395922 where: bonds (distance) C4'-P energy: -14.219 bonds (distance) P-C4' energy: -10.129 flat angles C4'-P-C4' energy: -12.643 flat angles P-C4'-P energy: -8.713 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: 8, replica: 10 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -83.773118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.773118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.773118 (E_RNA) where: Base-Base interactions energy: -38.563 where: short stacking energy: -38.563 Base-Backbone interact. energy: -0.051 local terms energy: -45.158583 where: bonds (distance) C4'-P energy: -10.269 bonds (distance) P-C4' energy: -13.736 flat angles C4'-P-C4' energy: -10.096 flat angles P-C4'-P energy: -8.703 tors. eta vs tors. theta energy: -2.354 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: 1 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -84.057424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.057424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.057424 (E_RNA) where: Base-Base interactions energy: -45.075 where: short stacking energy: -44.629 Base-Backbone interact. energy: -0.019 local terms energy: -38.963185 where: bonds (distance) C4'-P energy: -4.213 bonds (distance) P-C4' energy: -12.697 flat angles C4'-P-C4' energy: -10.296 flat angles P-C4'-P energy: -5.302 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: 10, replica: 4 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -72.392124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.392124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.392124 (E_RNA) where: Base-Base interactions energy: -30.950 where: short stacking energy: -30.950 Base-Backbone interact. energy: -0.014 local terms energy: -41.428149 where: bonds (distance) C4'-P energy: -8.183 bonds (distance) P-C4' energy: -15.112 flat angles C4'-P-C4' energy: -6.515 flat angles P-C4'-P energy: -9.779 tors. eta vs tors. theta energy: -1.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -163.640238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.640238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.640238 (E_RNA) where: Base-Base interactions energy: -99.133 where: short stacking energy: -60.664 Base-Backbone interact. energy: -0.333 local terms energy: -64.173760 where: bonds (distance) C4'-P energy: -12.450 bonds (distance) P-C4' energy: -15.248 flat angles C4'-P-C4' energy: -11.047 flat angles P-C4'-P energy: -8.594 tors. eta vs tors. theta energy: -16.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -144.028153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.028153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.028153 (E_RNA) where: Base-Base interactions energy: -81.429 where: short stacking energy: -55.081 Base-Backbone interact. energy: -0.000 local terms energy: -62.599292 where: bonds (distance) C4'-P energy: -12.509 bonds (distance) P-C4' energy: -12.764 flat angles C4'-P-C4' energy: -13.797 flat angles P-C4'-P energy: -7.303 tors. eta vs tors. theta energy: -16.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -147.211404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.211404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.211404 (E_RNA) where: Base-Base interactions energy: -85.645 where: short stacking energy: -47.139 Base-Backbone interact. energy: -0.060 local terms energy: -61.505955 where: bonds (distance) C4'-P energy: -15.411 bonds (distance) P-C4' energy: -15.790 flat angles C4'-P-C4' energy: -12.768 flat angles P-C4'-P energy: -5.400 tors. eta vs tors. theta energy: -12.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -142.979198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.979198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.979198 (E_RNA) where: Base-Base interactions energy: -86.720 where: short stacking energy: -48.046 Base-Backbone interact. energy: -0.036 local terms energy: -56.222569 where: bonds (distance) C4'-P energy: -13.871 bonds (distance) P-C4' energy: -11.612 flat angles C4'-P-C4' energy: -13.177 flat angles P-C4'-P energy: -6.831 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: 7 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -123.684121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.684121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.684121 (E_RNA) where: Base-Base interactions energy: -79.285 where: short stacking energy: -44.732 Base-Backbone interact. energy: -0.113 local terms energy: -44.286759 where: bonds (distance) C4'-P energy: -13.838 bonds (distance) P-C4' energy: -10.584 flat angles C4'-P-C4' energy: -9.684 flat angles P-C4'-P energy: -7.813 tors. eta vs tors. theta energy: -2.368 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: 9 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -94.972553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.972553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.972553 (E_RNA) where: Base-Base interactions energy: -45.679 where: short stacking energy: -45.679 Base-Backbone interact. energy: -0.000 local terms energy: -49.293359 where: bonds (distance) C4'-P energy: -9.176 bonds (distance) P-C4' energy: -13.376 flat angles C4'-P-C4' energy: -9.106 flat angles P-C4'-P energy: -10.818 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: 7, replica: 2 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -89.727640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.727640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.727640 (E_RNA) where: Base-Base interactions energy: -41.724 where: short stacking energy: -38.081 Base-Backbone interact. energy: -0.074 local terms energy: -47.930198 where: bonds (distance) C4'-P energy: -11.921 bonds (distance) P-C4' energy: -9.141 flat angles C4'-P-C4' energy: -10.062 flat angles P-C4'-P energy: -7.604 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: 8, replica: 1 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -87.980829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.980829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.980829 (E_RNA) where: Base-Base interactions energy: -39.985 where: short stacking energy: -25.932 Base-Backbone interact. energy: -0.035 local terms energy: -47.960415 where: bonds (distance) C4'-P energy: -13.651 bonds (distance) P-C4' energy: -12.668 flat angles C4'-P-C4' energy: -12.328 flat angles P-C4'-P energy: -6.291 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: 9, replica: 10 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -74.084469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.084469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.084469 (E_RNA) where: Base-Base interactions energy: -36.177 where: short stacking energy: -35.162 Base-Backbone interact. energy: -0.132 local terms energy: -37.775440 where: bonds (distance) C4'-P energy: -9.594 bonds (distance) P-C4' energy: -6.602 flat angles C4'-P-C4' energy: -13.786 flat angles P-C4'-P energy: -1.921 tors. eta vs tors. theta energy: -5.872 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: 10, replica: 4 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -77.449199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.449199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.449199 (E_RNA) where: Base-Base interactions energy: -29.640 where: short stacking energy: -24.877 Base-Backbone interact. energy: 0.306 local terms energy: -48.114996 where: bonds (distance) C4'-P energy: -13.199 bonds (distance) P-C4' energy: -12.985 flat angles C4'-P-C4' energy: -8.296 flat angles P-C4'-P energy: -11.274 tors. eta vs tors. theta energy: -2.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -157.986208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.986208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.986208 (E_RNA) where: Base-Base interactions energy: -91.865 where: short stacking energy: -59.264 Base-Backbone interact. energy: 0.358 local terms energy: -66.479304 where: bonds (distance) C4'-P energy: -12.649 bonds (distance) P-C4' energy: -11.837 flat angles C4'-P-C4' energy: -13.727 flat angles P-C4'-P energy: -10.590 tors. eta vs tors. theta energy: -17.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -154.072204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.072204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.072204 (E_RNA) where: Base-Base interactions energy: -90.531 where: short stacking energy: -59.307 Base-Backbone interact. energy: -0.023 local terms energy: -63.518479 where: bonds (distance) C4'-P energy: -13.163 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -14.966 flat angles P-C4'-P energy: -9.780 tors. eta vs tors. theta energy: -11.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -157.004035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.004035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.004035 (E_RNA) where: Base-Base interactions energy: -94.610 where: short stacking energy: -62.189 Base-Backbone interact. energy: -0.000 local terms energy: -62.393407 where: bonds (distance) C4'-P energy: -11.493 bonds (distance) P-C4' energy: -12.891 flat angles C4'-P-C4' energy: -15.311 flat angles P-C4'-P energy: -9.727 tors. eta vs tors. theta energy: -12.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -133.317737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.317737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.317737 (E_RNA) where: Base-Base interactions energy: -74.520 where: short stacking energy: -39.923 Base-Backbone interact. energy: -0.009 local terms energy: -58.788572 where: bonds (distance) C4'-P energy: -13.515 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -12.168 flat angles P-C4'-P energy: -9.045 tors. eta vs tors. theta energy: -8.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -150.385838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.385838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.385838 (E_RNA) where: Base-Base interactions energy: -96.296 where: short stacking energy: -61.762 Base-Backbone interact. energy: 0.379 local terms energy: -54.468536 where: bonds (distance) C4'-P energy: -14.686 bonds (distance) P-C4' energy: -11.271 flat angles C4'-P-C4' energy: -9.277 flat angles P-C4'-P energy: -4.654 tors. eta vs tors. theta energy: -14.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -99.903116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.903116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.903116 (E_RNA) where: Base-Base interactions energy: -44.559 where: short stacking energy: -37.326 Base-Backbone interact. energy: -0.092 local terms energy: -55.251855 where: bonds (distance) C4'-P energy: -11.644 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -12.809 flat angles P-C4'-P energy: -9.984 tors. eta vs tors. theta energy: -6.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -86.696066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.696066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.696066 (E_RNA) where: Base-Base interactions energy: -40.167 where: short stacking energy: -40.167 Base-Backbone interact. energy: -0.098 local terms energy: -46.430349 where: bonds (distance) C4'-P energy: -13.287 bonds (distance) P-C4' energy: -9.744 flat angles C4'-P-C4' energy: -9.809 flat angles P-C4'-P energy: -4.593 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: 8, replica: 1 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -85.679269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.679269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.679269 (E_RNA) where: Base-Base interactions energy: -39.900 where: short stacking energy: -37.035 Base-Backbone interact. energy: -0.013 local terms energy: -45.765865 where: bonds (distance) C4'-P energy: -8.163 bonds (distance) P-C4' energy: -14.854 flat angles C4'-P-C4' energy: -11.633 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -7.032 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: 9, replica: 4 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -82.122911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.122911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.122911 (E_RNA) where: Base-Base interactions energy: -34.985 where: short stacking energy: -34.232 Base-Backbone interact. energy: -0.126 local terms energy: -47.011469 where: bonds (distance) C4'-P energy: -10.828 bonds (distance) P-C4' energy: -12.735 flat angles C4'-P-C4' energy: -12.046 flat angles P-C4'-P energy: -2.889 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: 10, replica: 10 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -81.290106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.290106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.290106 (E_RNA) where: Base-Base interactions energy: -45.388 where: short stacking energy: -31.535 Base-Backbone interact. energy: -0.137 local terms energy: -35.765559 where: bonds (distance) C4'-P energy: -6.911 bonds (distance) P-C4' energy: -10.021 flat angles C4'-P-C4' energy: -11.347 flat angles P-C4'-P energy: -3.971 tors. eta vs tors. theta energy: -3.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -159.340515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.340515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.340515 (E_RNA) where: Base-Base interactions energy: -98.022 where: short stacking energy: -61.908 Base-Backbone interact. energy: -0.001 local terms energy: -61.317750 where: bonds (distance) C4'-P energy: -13.838 bonds (distance) P-C4' energy: -12.022 flat angles C4'-P-C4' energy: -12.285 flat angles P-C4'-P energy: -7.607 tors. eta vs tors. theta energy: -15.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -156.961312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.961312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.961312 (E_RNA) where: Base-Base interactions energy: -93.090 where: short stacking energy: -56.381 Base-Backbone interact. energy: -0.005 local terms energy: -63.865778 where: bonds (distance) C4'-P energy: -13.766 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -14.639 flat angles P-C4'-P energy: -9.013 tors. eta vs tors. theta energy: -12.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -140.810493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.810493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.810493 (E_RNA) where: Base-Base interactions energy: -81.624 where: short stacking energy: -51.897 Base-Backbone interact. energy: -0.000 local terms energy: -59.185824 where: bonds (distance) C4'-P energy: -13.294 bonds (distance) P-C4' energy: -13.656 flat angles C4'-P-C4' energy: -10.078 flat angles P-C4'-P energy: -9.515 tors. eta vs tors. theta energy: -12.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -136.664773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.664773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.664773 (E_RNA) where: Base-Base interactions energy: -83.956 where: short stacking energy: -47.942 Base-Backbone interact. energy: 0.072 local terms energy: -52.780142 where: bonds (distance) C4'-P energy: -10.260 bonds (distance) P-C4' energy: -12.366 flat angles C4'-P-C4' energy: -11.117 flat angles P-C4'-P energy: -6.326 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: 5, replica: 3 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -129.095008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.095008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.095008 (E_RNA) where: Base-Base interactions energy: -76.283 where: short stacking energy: -48.770 Base-Backbone interact. energy: 0.007 local terms energy: -52.819112 where: bonds (distance) C4'-P energy: -10.584 bonds (distance) P-C4' energy: -13.823 flat angles C4'-P-C4' energy: -10.116 flat angles P-C4'-P energy: -8.080 tors. eta vs tors. theta energy: -10.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -93.168739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.168739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.168739 (E_RNA) where: Base-Base interactions energy: -50.920 where: short stacking energy: -36.094 Base-Backbone interact. energy: -0.036 local terms energy: -42.212767 where: bonds (distance) C4'-P energy: -11.664 bonds (distance) P-C4' energy: -8.516 flat angles C4'-P-C4' energy: -7.870 flat angles P-C4'-P energy: -5.015 tors. eta vs tors. theta energy: -9.149 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: 2 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -81.365411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.365411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.365411 (E_RNA) where: Base-Base interactions energy: -37.146 where: short stacking energy: -37.146 Base-Backbone interact. energy: -0.028 local terms energy: -44.191739 where: bonds (distance) C4'-P energy: -10.222 bonds (distance) P-C4' energy: -9.489 flat angles C4'-P-C4' energy: -8.665 flat angles P-C4'-P energy: -8.617 tors. eta vs tors. theta energy: -7.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -83.400528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.400528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.400528 (E_RNA) where: Base-Base interactions energy: -33.657 where: short stacking energy: -32.715 Base-Backbone interact. energy: -0.002 local terms energy: -49.741620 where: bonds (distance) C4'-P energy: -11.887 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -10.085 flat angles P-C4'-P energy: -4.778 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: 9, replica: 1 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -75.793457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.793457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.793457 (E_RNA) where: Base-Base interactions energy: -34.612 where: short stacking energy: -22.863 Base-Backbone interact. energy: -0.123 local terms energy: -41.057935 where: bonds (distance) C4'-P energy: -9.929 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -7.939 flat angles P-C4'-P energy: -8.279 tors. eta vs tors. theta energy: 0.404 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: 10 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -83.040076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.040076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.040076 (E_RNA) where: Base-Base interactions energy: -45.090 where: short stacking energy: -43.898 Base-Backbone interact. energy: -0.040 local terms energy: -37.910955 where: bonds (distance) C4'-P energy: -9.966 bonds (distance) P-C4' energy: -6.623 flat angles C4'-P-C4' energy: -13.046 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -3.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -161.213583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.213583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.213583 (E_RNA) where: Base-Base interactions energy: -93.675 where: short stacking energy: -57.679 Base-Backbone interact. energy: -0.365 local terms energy: -67.173250 where: bonds (distance) C4'-P energy: -14.698 bonds (distance) P-C4' energy: -14.793 flat angles C4'-P-C4' energy: -13.251 flat angles P-C4'-P energy: -8.163 tors. eta vs tors. theta energy: -16.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -157.643782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.643782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.643782 (E_RNA) where: Base-Base interactions energy: -93.598 where: short stacking energy: -60.663 Base-Backbone interact. energy: -0.001 local terms energy: -64.045415 where: bonds (distance) C4'-P energy: -13.241 bonds (distance) P-C4' energy: -12.744 flat angles C4'-P-C4' energy: -12.809 flat angles P-C4'-P energy: -8.615 tors. eta vs tors. theta energy: -16.637 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: 3, replica: 7 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -150.150799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.150799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.150799 (E_RNA) where: Base-Base interactions energy: -89.911 where: short stacking energy: -53.709 Base-Backbone interact. energy: -0.083 local terms energy: -60.157082 where: bonds (distance) C4'-P energy: -12.772 bonds (distance) P-C4' energy: -15.480 flat angles C4'-P-C4' energy: -11.271 flat angles P-C4'-P energy: -9.276 tors. eta vs tors. theta energy: -11.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -143.817997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.817997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.817997 (E_RNA) where: Base-Base interactions energy: -88.319 where: short stacking energy: -55.929 Base-Backbone interact. energy: -0.011 local terms energy: -55.488279 where: bonds (distance) C4'-P energy: -10.803 bonds (distance) P-C4' energy: -10.925 flat angles C4'-P-C4' energy: -13.692 flat angles P-C4'-P energy: -8.080 tors. eta vs tors. theta energy: -11.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -127.092950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.092950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.092950 (E_RNA) where: Base-Base interactions energy: -79.389 where: short stacking energy: -47.461 Base-Backbone interact. energy: -0.022 local terms energy: -47.681521 where: bonds (distance) C4'-P energy: -10.940 bonds (distance) P-C4' energy: -9.913 flat angles C4'-P-C4' energy: -9.751 flat angles P-C4'-P energy: -11.793 tors. eta vs tors. theta energy: -5.284 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: 9 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -101.487378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.487378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.487378 (E_RNA) where: Base-Base interactions energy: -45.573 where: short stacking energy: -45.573 Base-Backbone interact. energy: -0.091 local terms energy: -55.823178 where: bonds (distance) C4'-P energy: -13.547 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -13.185 flat angles P-C4'-P energy: -5.016 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: 7, replica: 4 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -88.481949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.481949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.481949 (E_RNA) where: Base-Base interactions energy: -36.534 where: short stacking energy: -35.080 Base-Backbone interact. energy: -0.001 local terms energy: -51.946948 where: bonds (distance) C4'-P energy: -11.810 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -9.203 flat angles P-C4'-P energy: -9.706 tors. eta vs tors. theta energy: -7.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -89.538233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.538233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.538233 (E_RNA) where: Base-Base interactions energy: -41.926 where: short stacking energy: -41.926 Base-Backbone interact. energy: -0.092 local terms energy: -47.519758 where: bonds (distance) C4'-P energy: -8.303 bonds (distance) P-C4' energy: -13.576 flat angles C4'-P-C4' energy: -12.378 flat angles P-C4'-P energy: -5.330 tors. eta vs tors. theta energy: -7.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -88.486976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.486976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.486976 (E_RNA) where: Base-Base interactions energy: -41.313 where: short stacking energy: -41.313 Base-Backbone interact. energy: -0.377 local terms energy: -46.797877 where: bonds (distance) C4'-P energy: -9.556 bonds (distance) P-C4' energy: -11.222 flat angles C4'-P-C4' energy: -15.118 flat angles P-C4'-P energy: -5.426 tors. eta vs tors. theta energy: -5.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -70.899504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.899504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.899504 (E_RNA) where: Base-Base interactions energy: -30.610 where: short stacking energy: -30.610 Base-Backbone interact. energy: -0.022 local terms energy: -40.267080 where: bonds (distance) C4'-P energy: -11.912 bonds (distance) P-C4' energy: -9.020 flat angles C4'-P-C4' energy: -9.541 flat angles P-C4'-P energy: -3.927 tors. eta vs tors. theta energy: -5.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -176.403862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.403862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.403862 (E_RNA) where: Base-Base interactions energy: -112.356 where: short stacking energy: -60.233 Base-Backbone interact. energy: -0.320 local terms energy: -63.727879 where: bonds (distance) C4'-P energy: -14.901 bonds (distance) P-C4' energy: -14.980 flat angles C4'-P-C4' energy: -14.106 flat angles P-C4'-P energy: -6.774 tors. eta vs tors. theta energy: -12.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -176.194537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.194537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.194537 (E_RNA) where: Base-Base interactions energy: -111.928 where: short stacking energy: -74.418 Base-Backbone interact. energy: -0.006 local terms energy: -64.260257 where: bonds (distance) C4'-P energy: -10.161 bonds (distance) P-C4' energy: -12.684 flat angles C4'-P-C4' energy: -9.714 flat angles P-C4'-P energy: -12.261 tors. eta vs tors. theta energy: -19.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -152.657177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.657177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.657177 (E_RNA) where: Base-Base interactions energy: -88.400 where: short stacking energy: -54.103 Base-Backbone interact. energy: -0.217 local terms energy: -64.039350 where: bonds (distance) C4'-P energy: -12.459 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -14.050 flat angles P-C4'-P energy: -10.552 tors. eta vs tors. theta energy: -12.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -140.255182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.255182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.255182 (E_RNA) where: Base-Base interactions energy: -94.830 where: short stacking energy: -50.000 Base-Backbone interact. energy: -1.159 local terms energy: -44.265836 where: bonds (distance) C4'-P energy: -9.719 bonds (distance) P-C4' energy: -7.979 flat angles C4'-P-C4' energy: -10.152 flat angles P-C4'-P energy: -6.422 tors. eta vs tors. theta energy: -9.993 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: 5, replica: 3 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -132.754970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.754970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.754970 (E_RNA) where: Base-Base interactions energy: -78.911 where: short stacking energy: -55.315 Base-Backbone interact. energy: -0.343 local terms energy: -53.501862 where: bonds (distance) C4'-P energy: -13.294 bonds (distance) P-C4' energy: -12.613 flat angles C4'-P-C4' energy: -12.802 flat angles P-C4'-P energy: -6.696 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: 4 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -96.942006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.942006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.942006 (E_RNA) where: Base-Base interactions energy: -48.426 where: short stacking energy: -41.396 Base-Backbone interact. energy: -0.184 local terms energy: -48.332325 where: bonds (distance) C4'-P energy: -14.529 bonds (distance) P-C4' energy: -9.113 flat angles C4'-P-C4' energy: -10.678 flat angles P-C4'-P energy: -9.297 tors. eta vs tors. theta energy: -4.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -87.754247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.754247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.754247 (E_RNA) where: Base-Base interactions energy: -40.060 where: short stacking energy: -36.578 Base-Backbone interact. energy: -0.013 local terms energy: -47.681684 where: bonds (distance) C4'-P energy: -11.527 bonds (distance) P-C4' energy: -14.455 flat angles C4'-P-C4' energy: -7.563 flat angles P-C4'-P energy: -8.714 tors. eta vs tors. theta energy: -5.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -75.203747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.203747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.203747 (E_RNA) where: Base-Base interactions energy: -29.993 where: short stacking energy: -23.734 Base-Backbone interact. energy: -0.581 local terms energy: -44.630084 where: bonds (distance) C4'-P energy: -9.931 bonds (distance) P-C4' energy: -12.479 flat angles C4'-P-C4' energy: -12.355 flat angles P-C4'-P energy: -7.029 tors. eta vs tors. theta energy: -2.835 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: 9, replica: 2 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -75.470717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.470717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.470717 (E_RNA) where: Base-Base interactions energy: -32.839 where: short stacking energy: -32.643 Base-Backbone interact. energy: -0.011 local terms energy: -42.620713 where: bonds (distance) C4'-P energy: -12.719 bonds (distance) P-C4' energy: -11.473 flat angles C4'-P-C4' energy: -7.787 flat angles P-C4'-P energy: -6.745 tors. eta vs tors. theta energy: -3.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -78.429438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.429438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.429438 (E_RNA) where: Base-Base interactions energy: -35.506 where: short stacking energy: -35.506 Base-Backbone interact. energy: 0.511 local terms energy: -43.433635 where: bonds (distance) C4'-P energy: -11.664 bonds (distance) P-C4' energy: -9.882 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -8.860 tors. eta vs tors. theta energy: -7.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -173.952231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.952231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.952231 (E_RNA) where: Base-Base interactions energy: -111.070 where: short stacking energy: -70.665 Base-Backbone interact. energy: 1.076 local terms energy: -63.958370 where: bonds (distance) C4'-P energy: -12.641 bonds (distance) P-C4' energy: -14.973 flat angles C4'-P-C4' energy: -11.750 flat angles P-C4'-P energy: -8.966 tors. eta vs tors. theta energy: -15.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -161.332227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.332227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.332227 (E_RNA) where: Base-Base interactions energy: -93.472 where: short stacking energy: -62.130 Base-Backbone interact. energy: -0.218 local terms energy: -67.641691 where: bonds (distance) C4'-P energy: -14.554 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -14.984 flat angles P-C4'-P energy: -8.751 tors. eta vs tors. theta energy: -14.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -144.576947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.576947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.576947 (E_RNA) where: Base-Base interactions energy: -88.581 where: short stacking energy: -56.174 Base-Backbone interact. energy: -0.036 local terms energy: -55.960033 where: bonds (distance) C4'-P energy: -8.062 bonds (distance) P-C4' energy: -14.152 flat angles C4'-P-C4' energy: -12.447 flat angles P-C4'-P energy: -7.295 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: 4, replica: 8 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -150.426686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.426686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.426686 (E_RNA) where: Base-Base interactions energy: -90.926 where: short stacking energy: -60.736 Base-Backbone interact. energy: -0.120 local terms energy: -59.380797 where: bonds (distance) C4'-P energy: -11.362 bonds (distance) P-C4' energy: -13.093 flat angles C4'-P-C4' energy: -11.760 flat angles P-C4'-P energy: -9.196 tors. eta vs tors. theta energy: -13.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -136.350759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.350759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.350759 (E_RNA) where: Base-Base interactions energy: -81.688 where: short stacking energy: -49.875 Base-Backbone interact. energy: -0.006 local terms energy: -54.656667 where: bonds (distance) C4'-P energy: -14.272 bonds (distance) P-C4' energy: -11.870 flat angles C4'-P-C4' energy: -11.440 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -12.143 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: 4 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -95.189300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.189300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.189300 (E_RNA) where: Base-Base interactions energy: -51.515 where: short stacking energy: -46.846 Base-Backbone interact. energy: -0.053 local terms energy: -43.621108 where: bonds (distance) C4'-P energy: -10.365 bonds (distance) P-C4' energy: -11.420 flat angles C4'-P-C4' energy: -9.949 flat angles P-C4'-P energy: -6.207 tors. eta vs tors. theta energy: -5.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -92.148004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.148004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.148004 (E_RNA) where: Base-Base interactions energy: -37.877 where: short stacking energy: -37.877 Base-Backbone interact. energy: -0.123 local terms energy: -54.148026 where: bonds (distance) C4'-P energy: -12.232 bonds (distance) P-C4' energy: -15.087 flat angles C4'-P-C4' energy: -14.165 flat angles P-C4'-P energy: -6.835 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: 164 Temperature: 1.250000 Total energy: -77.339977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.339977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.339977 (E_RNA) where: Base-Base interactions energy: -39.577 where: short stacking energy: -21.323 Base-Backbone interact. energy: -0.247 local terms energy: -37.515292 where: bonds (distance) C4'-P energy: -11.481 bonds (distance) P-C4' energy: -11.698 flat angles C4'-P-C4' energy: -9.356 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: -0.534 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: 1 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -84.833166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.833166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.833166 (E_RNA) where: Base-Base interactions energy: -39.204 where: short stacking energy: -39.204 Base-Backbone interact. energy: -0.051 local terms energy: -45.579058 where: bonds (distance) C4'-P energy: -9.711 bonds (distance) P-C4' energy: -10.524 flat angles C4'-P-C4' energy: -10.998 flat angles P-C4'-P energy: -8.333 tors. eta vs tors. theta energy: -6.013 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: 2 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -74.083341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.083341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.083341 (E_RNA) where: Base-Base interactions energy: -25.384 where: short stacking energy: -24.457 Base-Backbone interact. energy: -0.125 local terms energy: -48.573592 where: bonds (distance) C4'-P energy: -13.117 bonds (distance) P-C4' energy: -14.321 flat angles C4'-P-C4' energy: -11.591 flat angles P-C4'-P energy: -6.040 tors. eta vs tors. theta energy: -3.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -157.742819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.742819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.742819 (E_RNA) where: Base-Base interactions energy: -94.279 where: short stacking energy: -60.831 Base-Backbone interact. energy: -0.064 local terms energy: -63.399428 where: bonds (distance) C4'-P energy: -13.734 bonds (distance) P-C4' energy: -12.993 flat angles C4'-P-C4' energy: -11.624 flat angles P-C4'-P energy: -10.176 tors. eta vs tors. theta energy: -14.872 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: 7 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -140.837567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.837567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.837567 (E_RNA) where: Base-Base interactions energy: -83.405 where: short stacking energy: -54.431 Base-Backbone interact. energy: 0.686 local terms energy: -58.118333 where: bonds (distance) C4'-P energy: -13.303 bonds (distance) P-C4' energy: -14.292 flat angles C4'-P-C4' energy: -9.761 flat angles P-C4'-P energy: -8.427 tors. eta vs tors. theta energy: -12.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -148.562847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.562847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.562847 (E_RNA) where: Base-Base interactions energy: -86.707 where: short stacking energy: -50.503 Base-Backbone interact. energy: -0.155 local terms energy: -61.700520 where: bonds (distance) C4'-P energy: -13.321 bonds (distance) P-C4' energy: -13.075 flat angles C4'-P-C4' energy: -13.970 flat angles P-C4'-P energy: -8.963 tors. eta vs tors. theta energy: -12.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -140.930670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.930670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.930670 (E_RNA) where: Base-Base interactions energy: -82.197 where: short stacking energy: -48.874 Base-Backbone interact. energy: -0.002 local terms energy: -58.731533 where: bonds (distance) C4'-P energy: -12.877 bonds (distance) P-C4' energy: -13.486 flat angles C4'-P-C4' energy: -15.582 flat angles P-C4'-P energy: -7.024 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: 5, replica: 8 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -128.987518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.987518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.987518 (E_RNA) where: Base-Base interactions energy: -78.633 where: short stacking energy: -42.091 Base-Backbone interact. energy: -0.021 local terms energy: -50.333942 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -13.487 flat angles C4'-P-C4' energy: -9.012 flat angles P-C4'-P energy: -7.238 tors. eta vs tors. theta energy: -7.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -91.014712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.014712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.014712 (E_RNA) where: Base-Base interactions energy: -39.682 where: short stacking energy: -35.022 Base-Backbone interact. energy: -0.948 local terms energy: -50.384125 where: bonds (distance) C4'-P energy: -13.535 bonds (distance) P-C4' energy: -11.282 flat angles C4'-P-C4' energy: -12.231 flat angles P-C4'-P energy: -7.677 tors. eta vs tors. theta energy: -5.659 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: 4 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -91.357433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.357433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.357433 (E_RNA) where: Base-Base interactions energy: -43.133 where: short stacking energy: -37.396 Base-Backbone interact. energy: 1.350 local terms energy: -49.574760 where: bonds (distance) C4'-P energy: -12.649 bonds (distance) P-C4' energy: -15.957 flat angles C4'-P-C4' energy: -8.262 flat angles P-C4'-P energy: -6.751 tors. eta vs tors. theta energy: -5.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -79.794499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.794499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.794499 (E_RNA) where: Base-Base interactions energy: -35.597 where: short stacking energy: -31.000 Base-Backbone interact. energy: -0.103 local terms energy: -44.094782 where: bonds (distance) C4'-P energy: -9.813 bonds (distance) P-C4' energy: -10.610 flat angles C4'-P-C4' energy: -11.935 flat angles P-C4'-P energy: -7.652 tors. eta vs tors. theta energy: -4.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -77.468772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.468772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.468772 (E_RNA) where: Base-Base interactions energy: -35.041 where: short stacking energy: -34.970 Base-Backbone interact. energy: -0.298 local terms energy: -42.130344 where: bonds (distance) C4'-P energy: -8.879 bonds (distance) P-C4' energy: -12.998 flat angles C4'-P-C4' energy: -9.016 flat angles P-C4'-P energy: -9.441 tors. eta vs tors. theta energy: -1.796 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: 2 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -70.575894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.575894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.575894 (E_RNA) where: Base-Base interactions energy: -30.055 where: short stacking energy: -27.575 Base-Backbone interact. energy: -0.222 local terms energy: -40.299335 where: bonds (distance) C4'-P energy: -11.709 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -11.451 flat angles P-C4'-P energy: -7.257 tors. eta vs tors. theta energy: 4.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -166.934409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.934409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.934409 (E_RNA) where: Base-Base interactions energy: -104.256 where: short stacking energy: -65.413 Base-Backbone interact. energy: -0.005 local terms energy: -62.673483 where: bonds (distance) C4'-P energy: -14.644 bonds (distance) P-C4' energy: -11.464 flat angles C4'-P-C4' energy: -11.854 flat angles P-C4'-P energy: -6.816 tors. eta vs tors. theta energy: -17.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -135.471740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.471740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.471740 (E_RNA) where: Base-Base interactions energy: -78.627 where: short stacking energy: -53.922 Base-Backbone interact. energy: -0.466 local terms energy: -56.379219 where: bonds (distance) C4'-P energy: -11.900 bonds (distance) P-C4' energy: -16.249 flat angles C4'-P-C4' energy: -11.721 flat angles P-C4'-P energy: -8.433 tors. eta vs tors. theta energy: -8.076 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: 166 Temperature: 1.000000 Total energy: -149.005011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.005011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.005011 (E_RNA) where: Base-Base interactions energy: -89.269 where: short stacking energy: -60.351 Base-Backbone interact. energy: 0.711 local terms energy: -60.446921 where: bonds (distance) C4'-P energy: -12.637 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -13.967 flat angles P-C4'-P energy: -8.468 tors. eta vs tors. theta energy: -12.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -125.035761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.035761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.035761 (E_RNA) where: Base-Base interactions energy: -66.640 where: short stacking energy: -37.008 Base-Backbone interact. energy: -1.194 local terms energy: -57.201419 where: bonds (distance) C4'-P energy: -13.329 bonds (distance) P-C4' energy: -13.931 flat angles C4'-P-C4' energy: -13.328 flat angles P-C4'-P energy: -5.381 tors. eta vs tors. theta energy: -11.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -132.655313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.655313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.655313 (E_RNA) where: Base-Base interactions energy: -78.169 where: short stacking energy: -47.917 Base-Backbone interact. energy: -0.434 local terms energy: -54.052510 where: bonds (distance) C4'-P energy: -13.269 bonds (distance) P-C4' energy: -9.037 flat angles C4'-P-C4' energy: -10.243 flat angles P-C4'-P energy: -11.365 tors. eta vs tors. theta energy: -10.139 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: 6, replica: 10 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -88.825891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.825891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.825891 (E_RNA) where: Base-Base interactions energy: -36.660 where: short stacking energy: -29.609 Base-Backbone interact. energy: -0.109 local terms energy: -52.056783 where: bonds (distance) C4'-P energy: -12.214 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -14.624 flat angles P-C4'-P energy: -6.081 tors. eta vs tors. theta energy: -3.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -78.404012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.404012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.404012 (E_RNA) where: Base-Base interactions energy: -32.495 where: short stacking energy: -25.382 Base-Backbone interact. energy: 0.556 local terms energy: -46.465311 where: bonds (distance) C4'-P energy: -9.763 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -12.333 flat angles P-C4'-P energy: -7.585 tors. eta vs tors. theta energy: -2.100 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: 166 Temperature: 1.250000 Total energy: -78.021628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.021628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.021628 (E_RNA) where: Base-Base interactions energy: -38.626 where: short stacking energy: -38.626 Base-Backbone interact. energy: 2.087 local terms energy: -41.482749 where: bonds (distance) C4'-P energy: -12.091 bonds (distance) P-C4' energy: -5.248 flat angles C4'-P-C4' energy: -10.438 flat angles P-C4'-P energy: -8.484 tors. eta vs tors. theta energy: -5.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -77.665479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.665479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.665479 (E_RNA) where: Base-Base interactions energy: -42.357 where: short stacking energy: -31.610 Base-Backbone interact. energy: -0.124 local terms energy: -35.185086 where: bonds (distance) C4'-P energy: -7.776 bonds (distance) P-C4' energy: -12.180 flat angles C4'-P-C4' energy: -8.967 flat angles P-C4'-P energy: -1.259 tors. eta vs tors. theta energy: -5.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -78.832467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.832467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.832467 (E_RNA) where: Base-Base interactions energy: -34.786 where: short stacking energy: -34.786 Base-Backbone interact. energy: -0.097 local terms energy: -43.949271 where: bonds (distance) C4'-P energy: -9.392 bonds (distance) P-C4' energy: -14.783 flat angles C4'-P-C4' energy: -9.358 flat angles P-C4'-P energy: -6.100 tors. eta vs tors. theta energy: -4.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -165.099621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.099621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.099621 (E_RNA) where: Base-Base interactions energy: -99.696 where: short stacking energy: -58.913 Base-Backbone interact. energy: -0.007 local terms energy: -65.397089 where: bonds (distance) C4'-P energy: -12.396 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -13.696 flat angles P-C4'-P energy: -8.157 tors. eta vs tors. theta energy: -16.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -144.679443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.679443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.679443 (E_RNA) where: Base-Base interactions energy: -87.863 where: short stacking energy: -56.501 Base-Backbone interact. energy: -0.001 local terms energy: -56.816120 where: bonds (distance) C4'-P energy: -12.993 bonds (distance) P-C4' energy: -10.842 flat angles C4'-P-C4' energy: -12.158 flat angles P-C4'-P energy: -11.266 tors. eta vs tors. theta energy: -9.558 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: 7 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -144.012144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.012144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.012144 (E_RNA) where: Base-Base interactions energy: -90.425 where: short stacking energy: -58.812 Base-Backbone interact. energy: -0.015 local terms energy: -53.572389 where: bonds (distance) C4'-P energy: -12.564 bonds (distance) P-C4' energy: -11.535 flat angles C4'-P-C4' energy: -10.562 flat angles P-C4'-P energy: -7.379 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: 4, replica: 6 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -145.073344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.073344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.073344 (E_RNA) where: Base-Base interactions energy: -83.405 where: short stacking energy: -48.139 Base-Backbone interact. energy: -0.152 local terms energy: -61.516008 where: bonds (distance) C4'-P energy: -13.324 bonds (distance) P-C4' energy: -11.989 flat angles C4'-P-C4' energy: -13.332 flat angles P-C4'-P energy: -9.652 tors. eta vs tors. theta energy: -13.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -150.156846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.156846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.156846 (E_RNA) where: Base-Base interactions energy: -93.055 where: short stacking energy: -61.899 Base-Backbone interact. energy: -0.003 local terms energy: -57.099374 where: bonds (distance) C4'-P energy: -12.371 bonds (distance) P-C4' energy: -11.811 flat angles C4'-P-C4' energy: -12.379 flat angles P-C4'-P energy: -3.811 tors. eta vs tors. theta energy: -16.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -86.367392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.367392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.367392 (E_RNA) where: Base-Base interactions energy: -38.539 where: short stacking energy: -37.621 Base-Backbone interact. energy: -0.426 local terms energy: -47.402173 where: bonds (distance) C4'-P energy: -13.295 bonds (distance) P-C4' energy: -10.372 flat angles C4'-P-C4' energy: -10.991 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -7.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -85.895638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.895638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.895638 (E_RNA) where: Base-Base interactions energy: -40.895 where: short stacking energy: -40.895 Base-Backbone interact. energy: -0.074 local terms energy: -44.926089 where: bonds (distance) C4'-P energy: -12.702 bonds (distance) P-C4' energy: -10.922 flat angles C4'-P-C4' energy: -10.059 flat angles P-C4'-P energy: -7.195 tors. eta vs tors. theta energy: -4.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -90.539699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.539699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.539699 (E_RNA) where: Base-Base interactions energy: -48.471 where: short stacking energy: -33.567 Base-Backbone interact. energy: 0.073 local terms energy: -42.140840 where: bonds (distance) C4'-P energy: -8.509 bonds (distance) P-C4' energy: -9.074 flat angles C4'-P-C4' energy: -10.918 flat angles P-C4'-P energy: -10.465 tors. eta vs tors. theta energy: -3.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -75.903070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.903070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.903070 (E_RNA) where: Base-Base interactions energy: -24.547 where: short stacking energy: -24.547 Base-Backbone interact. energy: -0.076 local terms energy: -51.280701 where: bonds (distance) C4'-P energy: -13.456 bonds (distance) P-C4' energy: -14.854 flat angles C4'-P-C4' energy: -9.472 flat angles P-C4'-P energy: -6.994 tors. eta vs tors. theta energy: -6.504 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: 167 Temperature: 1.350000 Total energy: -71.961856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.961856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.961856 (E_RNA) where: Base-Base interactions energy: -33.653 where: short stacking energy: -31.913 Base-Backbone interact. energy: -0.819 local terms energy: -37.490764 where: bonds (distance) C4'-P energy: -13.853 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -1.047 tors. eta vs tors. theta energy: -5.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -163.635446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.635446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.635446 (E_RNA) where: Base-Base interactions energy: -101.645 where: short stacking energy: -66.386 Base-Backbone interact. energy: -0.002 local terms energy: -61.989104 where: bonds (distance) C4'-P energy: -11.850 bonds (distance) P-C4' energy: -10.112 flat angles C4'-P-C4' energy: -10.322 flat angles P-C4'-P energy: -11.440 tors. eta vs tors. theta energy: -18.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -146.957764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.957764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.957764 (E_RNA) where: Base-Base interactions energy: -90.767 where: short stacking energy: -60.060 Base-Backbone interact. energy: -0.018 local terms energy: -56.172967 where: bonds (distance) C4'-P energy: -11.286 bonds (distance) P-C4' energy: -15.224 flat angles C4'-P-C4' energy: -8.977 flat angles P-C4'-P energy: -7.058 tors. eta vs tors. theta energy: -13.628 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: 6 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -149.765350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.765350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.765350 (E_RNA) where: Base-Base interactions energy: -87.877 where: short stacking energy: -62.226 Base-Backbone interact. energy: -0.016 local terms energy: -61.873075 where: bonds (distance) C4'-P energy: -9.901 bonds (distance) P-C4' energy: -15.140 flat angles C4'-P-C4' energy: -14.179 flat angles P-C4'-P energy: -10.639 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: 4, replica: 7 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -138.561629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.561629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.561629 (E_RNA) where: Base-Base interactions energy: -87.279 where: short stacking energy: -55.847 Base-Backbone interact. energy: -0.030 local terms energy: -51.252880 where: bonds (distance) C4'-P energy: -9.506 bonds (distance) P-C4' energy: -13.690 flat angles C4'-P-C4' energy: -8.890 flat angles P-C4'-P energy: -8.545 tors. eta vs tors. theta energy: -10.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -133.548920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.548920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.548920 (E_RNA) where: Base-Base interactions energy: -81.378 where: short stacking energy: -46.735 Base-Backbone interact. energy: -0.193 local terms energy: -51.977359 where: bonds (distance) C4'-P energy: -13.879 bonds (distance) P-C4' energy: -14.946 flat angles C4'-P-C4' energy: -7.599 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: -12.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -100.036778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.036778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.036778 (E_RNA) where: Base-Base interactions energy: -42.616 where: short stacking energy: -42.616 Base-Backbone interact. energy: -0.024 local terms energy: -57.396881 where: bonds (distance) C4'-P energy: -14.012 bonds (distance) P-C4' energy: -14.225 flat angles C4'-P-C4' energy: -11.858 flat angles P-C4'-P energy: -8.799 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: 7, replica: 10 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -84.332963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.332963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.332963 (E_RNA) where: Base-Base interactions energy: -38.968 where: short stacking energy: -38.968 Base-Backbone interact. energy: -0.057 local terms energy: -45.307574 where: bonds (distance) C4'-P energy: -12.951 bonds (distance) P-C4' energy: -12.253 flat angles C4'-P-C4' energy: -7.482 flat angles P-C4'-P energy: -7.922 tors. eta vs tors. theta energy: -4.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -90.403461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.403461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.403461 (E_RNA) where: Base-Base interactions energy: -45.634 where: short stacking energy: -36.179 Base-Backbone interact. energy: -0.074 local terms energy: -44.695023 where: bonds (distance) C4'-P energy: -9.043 bonds (distance) P-C4' energy: -13.356 flat angles C4'-P-C4' energy: -11.283 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: -7.247 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: 9 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -71.424902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.424902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.424902 (E_RNA) where: Base-Base interactions energy: -28.526 where: short stacking energy: -28.526 Base-Backbone interact. energy: -0.025 local terms energy: -42.874391 where: bonds (distance) C4'-P energy: -10.081 bonds (distance) P-C4' energy: -13.811 flat angles C4'-P-C4' energy: -11.026 flat angles P-C4'-P energy: -7.074 tors. eta vs tors. theta energy: -0.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -69.730489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.730489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.730489 (E_RNA) where: Base-Base interactions energy: -28.136 where: short stacking energy: -27.997 Base-Backbone interact. energy: 0.112 local terms energy: -41.706627 where: bonds (distance) C4'-P energy: -10.030 bonds (distance) P-C4' energy: -15.042 flat angles C4'-P-C4' energy: -8.761 flat angles P-C4'-P energy: -6.105 tors. eta vs tors. theta energy: -1.768 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: 5 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -163.574245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.574245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.574245 (E_RNA) where: Base-Base interactions energy: -95.974 where: short stacking energy: -58.795 Base-Backbone interact. energy: -0.439 local terms energy: -67.161339 where: bonds (distance) C4'-P energy: -14.218 bonds (distance) P-C4' energy: -14.149 flat angles C4'-P-C4' energy: -15.223 flat angles P-C4'-P energy: -9.793 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: 2, replica: 6 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -155.188573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.188573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.188573 (E_RNA) where: Base-Base interactions energy: -95.800 where: short stacking energy: -60.842 Base-Backbone interact. energy: -0.000 local terms energy: -59.387902 where: bonds (distance) C4'-P energy: -12.513 bonds (distance) P-C4' energy: -12.625 flat angles C4'-P-C4' energy: -13.560 flat angles P-C4'-P energy: -7.493 tors. eta vs tors. theta energy: -13.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -150.571894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.571894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.571894 (E_RNA) where: Base-Base interactions energy: -88.315 where: short stacking energy: -57.423 Base-Backbone interact. energy: 0.037 local terms energy: -62.293777 where: bonds (distance) C4'-P energy: -10.170 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -14.350 flat angles P-C4'-P energy: -8.280 tors. eta vs tors. theta energy: -14.612 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: 8 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -147.658949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.658949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.658949 (E_RNA) where: Base-Base interactions energy: -87.847 where: short stacking energy: -53.707 Base-Backbone interact. energy: -0.375 local terms energy: -59.437467 where: bonds (distance) C4'-P energy: -14.285 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -9.911 flat angles P-C4'-P energy: -7.309 tors. eta vs tors. theta energy: -14.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -134.782245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.782245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.782245 (E_RNA) where: Base-Base interactions energy: -76.283 where: short stacking energy: -47.102 Base-Backbone interact. energy: -0.002 local terms energy: -58.496671 where: bonds (distance) C4'-P energy: -12.807 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -10.871 flat angles P-C4'-P energy: -6.948 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: 6, replica: 10 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -90.213221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.213221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.213221 (E_RNA) where: Base-Base interactions energy: -50.838 where: short stacking energy: -43.514 Base-Backbone interact. energy: 4.140 local terms energy: -43.514979 where: bonds (distance) C4'-P energy: -6.125 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -9.672 flat angles P-C4'-P energy: -6.097 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: 7, replica: 4 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -82.638941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.638941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.638941 (E_RNA) where: Base-Base interactions energy: -38.389 where: short stacking energy: -38.389 Base-Backbone interact. energy: -0.033 local terms energy: -44.217200 where: bonds (distance) C4'-P energy: -8.600 bonds (distance) P-C4' energy: -9.844 flat angles C4'-P-C4' energy: -12.712 flat angles P-C4'-P energy: -8.210 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: 1 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -85.765918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.765918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.765918 (E_RNA) where: Base-Base interactions energy: -40.596 where: short stacking energy: -37.193 Base-Backbone interact. energy: -0.059 local terms energy: -45.109996 where: bonds (distance) C4'-P energy: -13.135 bonds (distance) P-C4' energy: -7.181 flat angles C4'-P-C4' energy: -13.349 flat angles P-C4'-P energy: -7.807 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: 9, replica: 9 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -82.052347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.052347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.052347 (E_RNA) where: Base-Base interactions energy: -34.071 where: short stacking energy: -34.071 Base-Backbone interact. energy: -0.031 local terms energy: -47.950231 where: bonds (distance) C4'-P energy: -11.912 bonds (distance) P-C4' energy: -12.781 flat angles C4'-P-C4' energy: -9.354 flat angles P-C4'-P energy: -5.106 tors. eta vs tors. theta energy: -8.797 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: 10, replica: 2 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -79.278524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.278524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.278524 (E_RNA) where: Base-Base interactions energy: -33.511 where: short stacking energy: -33.511 Base-Backbone interact. energy: -0.004 local terms energy: -45.763477 where: bonds (distance) C4'-P energy: -10.136 bonds (distance) P-C4' energy: -11.856 flat angles C4'-P-C4' energy: -9.165 flat angles P-C4'-P energy: -8.954 tors. eta vs tors. theta energy: -5.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -173.472002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.472002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.472002 (E_RNA) where: Base-Base interactions energy: -105.251 where: short stacking energy: -67.274 Base-Backbone interact. energy: -0.000 local terms energy: -68.220944 where: bonds (distance) C4'-P energy: -12.584 bonds (distance) P-C4' energy: -14.275 flat angles C4'-P-C4' energy: -12.717 flat angles P-C4'-P energy: -9.039 tors. eta vs tors. theta energy: -19.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -145.964179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.964179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.964179 (E_RNA) where: Base-Base interactions energy: -80.124 where: short stacking energy: -48.890 Base-Backbone interact. energy: -0.110 local terms energy: -65.729851 where: bonds (distance) C4'-P energy: -14.781 bonds (distance) P-C4' energy: -12.131 flat angles C4'-P-C4' energy: -13.265 flat angles P-C4'-P energy: -10.814 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: 3, replica: 3 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -137.545156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.545156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.545156 (E_RNA) where: Base-Base interactions energy: -80.434 where: short stacking energy: -45.232 Base-Backbone interact. energy: -0.003 local terms energy: -57.107790 where: bonds (distance) C4'-P energy: -10.721 bonds (distance) P-C4' energy: -13.626 flat angles C4'-P-C4' energy: -12.521 flat angles P-C4'-P energy: -8.020 tors. eta vs tors. theta energy: -12.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -127.030739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.030739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.030739 (E_RNA) where: Base-Base interactions energy: -67.375 where: short stacking energy: -39.421 Base-Backbone interact. energy: -0.048 local terms energy: -59.607740 where: bonds (distance) C4'-P energy: -14.521 bonds (distance) P-C4' energy: -13.384 flat angles C4'-P-C4' energy: -12.465 flat angles P-C4'-P energy: -7.866 tors. eta vs tors. theta energy: -11.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -125.169030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.169030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.169030 (E_RNA) where: Base-Base interactions energy: -80.824 where: short stacking energy: -45.847 Base-Backbone interact. energy: -0.647 local terms energy: -43.697589 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -10.256 flat angles C4'-P-C4' energy: -8.838 flat angles P-C4'-P energy: -7.928 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: 6, replica: 10 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -89.903703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.903703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.903703 (E_RNA) where: Base-Base interactions energy: -38.357 where: short stacking energy: -34.338 Base-Backbone interact. energy: 0.298 local terms energy: -51.844440 where: bonds (distance) C4'-P energy: -12.981 bonds (distance) P-C4' energy: -11.464 flat angles C4'-P-C4' energy: -10.957 flat angles P-C4'-P energy: -10.278 tors. eta vs tors. theta energy: -6.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -92.587714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.587714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.587714 (E_RNA) where: Base-Base interactions energy: -37.395 where: short stacking energy: -37.395 Base-Backbone interact. energy: -0.025 local terms energy: -55.168372 where: bonds (distance) C4'-P energy: -13.357 bonds (distance) P-C4' energy: -12.278 flat angles C4'-P-C4' energy: -14.236 flat angles P-C4'-P energy: -8.309 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: 8, replica: 4 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -77.644202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.644202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.644202 (E_RNA) where: Base-Base interactions energy: -37.747 where: short stacking energy: -35.428 Base-Backbone interact. energy: -0.191 local terms energy: -39.705729 where: bonds (distance) C4'-P energy: -10.177 bonds (distance) P-C4' energy: -10.323 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -9.770 tors. eta vs tors. theta energy: -1.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -74.164780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.164780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.164780 (E_RNA) where: Base-Base interactions energy: -25.543 where: short stacking energy: -20.173 Base-Backbone interact. energy: -0.400 local terms energy: -48.222179 where: bonds (distance) C4'-P energy: -13.565 bonds (distance) P-C4' energy: -14.121 flat angles C4'-P-C4' energy: -10.997 flat angles P-C4'-P energy: -10.175 tors. eta vs tors. theta energy: 0.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -71.714964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.714964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.714964 (E_RNA) where: Base-Base interactions energy: -26.730 where: short stacking energy: -26.730 Base-Backbone interact. energy: -0.504 local terms energy: -44.480950 where: bonds (distance) C4'-P energy: -12.021 bonds (distance) P-C4' energy: -12.578 flat angles C4'-P-C4' energy: -10.013 flat angles P-C4'-P energy: -6.136 tors. eta vs tors. theta energy: -3.732 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: 5 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -177.381559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.381559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.381559 (E_RNA) where: Base-Base interactions energy: -110.744 where: short stacking energy: -67.038 Base-Backbone interact. energy: -0.151 local terms energy: -66.486530 where: bonds (distance) C4'-P energy: -11.614 bonds (distance) P-C4' energy: -11.196 flat angles C4'-P-C4' energy: -13.224 flat angles P-C4'-P energy: -11.515 tors. eta vs tors. theta energy: -18.938 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: 3 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -159.415043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.415043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.415043 (E_RNA) where: Base-Base interactions energy: -96.161 where: short stacking energy: -60.978 Base-Backbone interact. energy: -0.016 local terms energy: -63.237748 where: bonds (distance) C4'-P energy: -9.888 bonds (distance) P-C4' energy: -12.588 flat angles C4'-P-C4' energy: -14.061 flat angles P-C4'-P energy: -10.306 tors. eta vs tors. theta energy: -16.396 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: 6 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -135.506821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.506821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.506821 (E_RNA) where: Base-Base interactions energy: -79.709 where: short stacking energy: -41.629 Base-Backbone interact. energy: -0.124 local terms energy: -55.673506 where: bonds (distance) C4'-P energy: -12.707 bonds (distance) P-C4' energy: -13.670 flat angles C4'-P-C4' energy: -13.832 flat angles P-C4'-P energy: -9.477 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: 4, replica: 7 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -134.982047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.982047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.982047 (E_RNA) where: Base-Base interactions energy: -80.822 where: short stacking energy: -50.274 Base-Backbone interact. energy: -0.161 local terms energy: -53.999524 where: bonds (distance) C4'-P energy: -12.235 bonds (distance) P-C4' energy: -14.002 flat angles C4'-P-C4' energy: -10.814 flat angles P-C4'-P energy: -6.023 tors. eta vs tors. theta energy: -10.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -137.166636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.166636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.166636 (E_RNA) where: Base-Base interactions energy: -79.705 where: short stacking energy: -52.123 Base-Backbone interact. energy: -0.050 local terms energy: -57.411155 where: bonds (distance) C4'-P energy: -13.449 bonds (distance) P-C4' energy: -11.796 flat angles C4'-P-C4' energy: -15.005 flat angles P-C4'-P energy: -6.959 tors. eta vs tors. theta energy: -10.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -91.116234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.116234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.116234 (E_RNA) where: Base-Base interactions energy: -37.963 where: short stacking energy: -37.963 Base-Backbone interact. energy: -0.067 local terms energy: -53.086176 where: bonds (distance) C4'-P energy: -8.424 bonds (distance) P-C4' energy: -15.015 flat angles C4'-P-C4' energy: -11.151 flat angles P-C4'-P energy: -9.913 tors. eta vs tors. theta energy: -8.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -87.089487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.089487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.089487 (E_RNA) where: Base-Base interactions energy: -38.853 where: short stacking energy: -38.853 Base-Backbone interact. energy: -0.108 local terms energy: -48.128049 where: bonds (distance) C4'-P energy: -10.344 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -13.364 flat angles P-C4'-P energy: -2.047 tors. eta vs tors. theta energy: -6.851 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: 9 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -83.355167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.355167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.355167 (E_RNA) where: Base-Base interactions energy: -43.632 where: short stacking energy: -40.763 Base-Backbone interact. energy: -0.229 local terms energy: -39.494537 where: bonds (distance) C4'-P energy: -12.711 bonds (distance) P-C4' energy: -9.012 flat angles C4'-P-C4' energy: -10.149 flat angles P-C4'-P energy: -5.866 tors. eta vs tors. theta energy: -1.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -81.901708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.901708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.901708 (E_RNA) where: Base-Base interactions energy: -33.250 where: short stacking energy: -33.250 Base-Backbone interact. energy: -0.009 local terms energy: -48.642068 where: bonds (distance) C4'-P energy: -11.933 bonds (distance) P-C4' energy: -14.121 flat angles C4'-P-C4' energy: -12.537 flat angles P-C4'-P energy: -5.491 tors. eta vs tors. theta energy: -4.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -67.411906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.411906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.411906 (E_RNA) where: Base-Base interactions energy: -31.283 where: short stacking energy: -30.719 Base-Backbone interact. energy: -0.038 local terms energy: -36.090843 where: bonds (distance) C4'-P energy: -13.171 bonds (distance) P-C4' energy: -8.185 flat angles C4'-P-C4' energy: -8.580 flat angles P-C4'-P energy: -2.434 tors. eta vs tors. theta energy: -3.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -153.752937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.752937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.752937 (E_RNA) where: Base-Base interactions energy: -86.945 where: short stacking energy: -51.320 Base-Backbone interact. energy: -0.121 local terms energy: -66.687586 where: bonds (distance) C4'-P energy: -13.100 bonds (distance) P-C4' energy: -15.015 flat angles C4'-P-C4' energy: -14.691 flat angles P-C4'-P energy: -12.260 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: 2, replica: 5 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -158.926776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.926776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.926776 (E_RNA) where: Base-Base interactions energy: -95.242 where: short stacking energy: -64.301 Base-Backbone interact. energy: -0.350 local terms energy: -63.334842 where: bonds (distance) C4'-P energy: -10.912 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -13.889 flat angles P-C4'-P energy: -10.754 tors. eta vs tors. theta energy: -14.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -144.715023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.715023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.715023 (E_RNA) where: Base-Base interactions energy: -85.243 where: short stacking energy: -45.949 Base-Backbone interact. energy: -0.017 local terms energy: -59.454665 where: bonds (distance) C4'-P energy: -13.471 bonds (distance) P-C4' energy: -13.747 flat angles C4'-P-C4' energy: -11.309 flat angles P-C4'-P energy: -10.106 tors. eta vs tors. theta energy: -10.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -135.091606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.091606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.091606 (E_RNA) where: Base-Base interactions energy: -78.030 where: short stacking energy: -38.983 Base-Backbone interact. energy: -0.559 local terms energy: -56.502143 where: bonds (distance) C4'-P energy: -9.333 bonds (distance) P-C4' energy: -15.016 flat angles C4'-P-C4' energy: -15.053 flat angles P-C4'-P energy: -9.162 tors. eta vs tors. theta energy: -7.938 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: 8 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -133.612255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.612255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.612255 (E_RNA) where: Base-Base interactions energy: -83.358 where: short stacking energy: -46.497 Base-Backbone interact. energy: -0.102 local terms energy: -50.152813 where: bonds (distance) C4'-P energy: -9.628 bonds (distance) P-C4' energy: -11.309 flat angles C4'-P-C4' energy: -9.553 flat angles P-C4'-P energy: -10.682 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: 6, replica: 10 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -93.428657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.428657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.428657 (E_RNA) where: Base-Base interactions energy: -42.102 where: short stacking energy: -41.273 Base-Backbone interact. energy: -0.075 local terms energy: -51.251578 where: bonds (distance) C4'-P energy: -10.906 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -10.657 flat angles P-C4'-P energy: -9.895 tors. eta vs tors. theta energy: -6.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -93.862954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.862954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.862954 (E_RNA) where: Base-Base interactions energy: -45.431 where: short stacking energy: -39.611 Base-Backbone interact. energy: 1.491 local terms energy: -49.923621 where: bonds (distance) C4'-P energy: -9.949 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -10.961 flat angles P-C4'-P energy: -10.673 tors. eta vs tors. theta energy: -8.155 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: 1 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -86.613150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.613150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.613150 (E_RNA) where: Base-Base interactions energy: -39.885 where: short stacking energy: -38.947 Base-Backbone interact. energy: -0.229 local terms energy: -46.499118 where: bonds (distance) C4'-P energy: -10.480 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -12.550 flat angles P-C4'-P energy: -4.359 tors. eta vs tors. theta energy: -10.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -78.721000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.721000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.721000 (E_RNA) where: Base-Base interactions energy: -31.411 where: short stacking energy: -21.878 Base-Backbone interact. energy: -0.527 local terms energy: -46.782945 where: bonds (distance) C4'-P energy: -12.765 bonds (distance) P-C4' energy: -13.492 flat angles C4'-P-C4' energy: -12.765 flat angles P-C4'-P energy: -4.882 tors. eta vs tors. theta energy: -2.878 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: 4 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -73.726059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.726059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.726059 (E_RNA) where: Base-Base interactions energy: -30.073 where: short stacking energy: -25.406 Base-Backbone interact. energy: -0.152 local terms energy: -43.501589 where: bonds (distance) C4'-P energy: -12.269 bonds (distance) P-C4' energy: -11.239 flat angles C4'-P-C4' energy: -12.203 flat angles P-C4'-P energy: -6.837 tors. eta vs tors. theta energy: -0.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -154.306959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.306959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.306959 (E_RNA) where: Base-Base interactions energy: -97.177 where: short stacking energy: -61.712 Base-Backbone interact. energy: -0.712 local terms energy: -56.417194 where: bonds (distance) C4'-P energy: -12.608 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -9.671 flat angles P-C4'-P energy: -6.727 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: 2, replica: 5 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -151.716158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.716158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.716158 (E_RNA) where: Base-Base interactions energy: -87.937 where: short stacking energy: -62.085 Base-Backbone interact. energy: -0.003 local terms energy: -63.776643 where: bonds (distance) C4'-P energy: -12.433 bonds (distance) P-C4' energy: -13.576 flat angles C4'-P-C4' energy: -14.426 flat angles P-C4'-P energy: -10.238 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: 3, replica: 7 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -127.750327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.750327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.750327 (E_RNA) where: Base-Base interactions energy: -75.062 where: short stacking energy: -46.264 Base-Backbone interact. energy: -0.257 local terms energy: -52.432043 where: bonds (distance) C4'-P energy: -12.451 bonds (distance) P-C4' energy: -12.163 flat angles C4'-P-C4' energy: -13.405 flat angles P-C4'-P energy: -8.741 tors. eta vs tors. theta energy: -5.672 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: 8 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -142.674808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.674808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.674808 (E_RNA) where: Base-Base interactions energy: -83.636 where: short stacking energy: -53.692 Base-Backbone interact. energy: -0.000 local terms energy: -59.038604 where: bonds (distance) C4'-P energy: -13.212 bonds (distance) P-C4' energy: -15.219 flat angles C4'-P-C4' energy: -9.531 flat angles P-C4'-P energy: -6.206 tors. eta vs tors. theta energy: -14.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -130.906990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.906990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.906990 (E_RNA) where: Base-Base interactions energy: -76.831 where: short stacking energy: -42.301 Base-Backbone interact. energy: 0.318 local terms energy: -54.394255 where: bonds (distance) C4'-P energy: -12.596 bonds (distance) P-C4' energy: -12.423 flat angles C4'-P-C4' energy: -13.685 flat angles P-C4'-P energy: -7.632 tors. eta vs tors. theta energy: -8.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -90.335665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.335665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.335665 (E_RNA) where: Base-Base interactions energy: -40.627 where: short stacking energy: -40.001 Base-Backbone interact. energy: 0.252 local terms energy: -49.960346 where: bonds (distance) C4'-P energy: -12.284 bonds (distance) P-C4' energy: -12.936 flat angles C4'-P-C4' energy: -9.995 flat angles P-C4'-P energy: -7.151 tors. eta vs tors. theta energy: -7.594 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: 9 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -86.406317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.406317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.406317 (E_RNA) where: Base-Base interactions energy: -32.064 where: short stacking energy: -30.556 Base-Backbone interact. energy: -0.128 local terms energy: -54.214158 where: bonds (distance) C4'-P energy: -14.396 bonds (distance) P-C4' energy: -15.249 flat angles C4'-P-C4' energy: -9.595 flat angles P-C4'-P energy: -10.419 tors. eta vs tors. theta energy: -4.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -76.527998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.527998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.527998 (E_RNA) where: Base-Base interactions energy: -33.062 where: short stacking energy: -28.697 Base-Backbone interact. energy: 1.250 local terms energy: -44.716323 where: bonds (distance) C4'-P energy: -10.919 bonds (distance) P-C4' energy: -10.719 flat angles C4'-P-C4' energy: -12.304 flat angles P-C4'-P energy: -11.655 tors. eta vs tors. theta energy: 0.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -70.953667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.953667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.953667 (E_RNA) where: Base-Base interactions energy: -28.925 where: short stacking energy: -26.417 Base-Backbone interact. energy: -0.888 local terms energy: -41.140647 where: bonds (distance) C4'-P energy: -11.740 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -8.022 flat angles P-C4'-P energy: -6.071 tors. eta vs tors. theta energy: -2.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -73.299142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.299142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.299142 (E_RNA) where: Base-Base interactions energy: -35.599 where: short stacking energy: -35.599 Base-Backbone interact. energy: -0.060 local terms energy: -37.640384 where: bonds (distance) C4'-P energy: -9.581 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -11.562 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: -3.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -161.320185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.320185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.320185 (E_RNA) where: Base-Base interactions energy: -95.628 where: short stacking energy: -65.005 Base-Backbone interact. energy: -0.001 local terms energy: -65.691575 where: bonds (distance) C4'-P energy: -14.516 bonds (distance) P-C4' energy: -11.464 flat angles C4'-P-C4' energy: -14.694 flat angles P-C4'-P energy: -10.361 tors. eta vs tors. theta energy: -14.657 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: 2, replica: 3 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -150.676144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.676144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.676144 (E_RNA) where: Base-Base interactions energy: -92.243 where: short stacking energy: -60.583 Base-Backbone interact. energy: -0.008 local terms energy: -58.425144 where: bonds (distance) C4'-P energy: -13.936 bonds (distance) P-C4' energy: -11.842 flat angles C4'-P-C4' energy: -10.094 flat angles P-C4'-P energy: -6.642 tors. eta vs tors. theta energy: -15.911 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: 3, replica: 7 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -135.778180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.778180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.778180 (E_RNA) where: Base-Base interactions energy: -82.484 where: short stacking energy: -57.851 Base-Backbone interact. energy: -0.040 local terms energy: -53.254989 where: bonds (distance) C4'-P energy: -7.624 bonds (distance) P-C4' energy: -12.285 flat angles C4'-P-C4' energy: -13.303 flat angles P-C4'-P energy: -8.760 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: 4, replica: 8 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -139.005795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.005795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.005795 (E_RNA) where: Base-Base interactions energy: -76.804 where: short stacking energy: -51.674 Base-Backbone interact. energy: -0.000 local terms energy: -62.201685 where: bonds (distance) C4'-P energy: -13.937 bonds (distance) P-C4' energy: -11.820 flat angles C4'-P-C4' energy: -12.905 flat angles P-C4'-P energy: -8.712 tors. eta vs tors. theta energy: -14.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -132.694130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.694130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.694130 (E_RNA) where: Base-Base interactions energy: -73.280 where: short stacking energy: -46.298 Base-Backbone interact. energy: -0.119 local terms energy: -59.295177 where: bonds (distance) C4'-P energy: -13.953 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -14.037 flat angles P-C4'-P energy: -8.076 tors. eta vs tors. theta energy: -9.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -87.305152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.305152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.305152 (E_RNA) where: Base-Base interactions energy: -34.665 where: short stacking energy: -31.327 Base-Backbone interact. energy: -0.952 local terms energy: -51.688726 where: bonds (distance) C4'-P energy: -13.792 bonds (distance) P-C4' energy: -10.547 flat angles C4'-P-C4' energy: -12.731 flat angles P-C4'-P energy: -6.935 tors. eta vs tors. theta energy: -7.683 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: 7, replica: 2 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -87.992898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.992898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.992898 (E_RNA) where: Base-Base interactions energy: -38.853 where: short stacking energy: -35.153 Base-Backbone interact. energy: -0.442 local terms energy: -48.697477 where: bonds (distance) C4'-P energy: -12.950 bonds (distance) P-C4' energy: -13.535 flat angles C4'-P-C4' energy: -8.478 flat angles P-C4'-P energy: -7.994 tors. eta vs tors. theta energy: -5.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -80.418613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.418613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.418613 (E_RNA) where: Base-Base interactions energy: -33.759 where: short stacking energy: -32.201 Base-Backbone interact. energy: -0.194 local terms energy: -46.464996 where: bonds (distance) C4'-P energy: -13.067 bonds (distance) P-C4' energy: -11.394 flat angles C4'-P-C4' energy: -11.515 flat angles P-C4'-P energy: -3.639 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: 9, replica: 4 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -80.430271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.430271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.430271 (E_RNA) where: Base-Base interactions energy: -36.913 where: short stacking energy: -36.913 Base-Backbone interact. energy: -0.001 local terms energy: -43.516455 where: bonds (distance) C4'-P energy: -10.675 bonds (distance) P-C4' energy: -14.407 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -7.625 tors. eta vs tors. theta energy: -4.321 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: 1 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -89.213274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.213274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.213274 (E_RNA) where: Base-Base interactions energy: -43.360 where: short stacking energy: -40.770 Base-Backbone interact. energy: -0.008 local terms energy: -45.845843 where: bonds (distance) C4'-P energy: -9.568 bonds (distance) P-C4' energy: -11.627 flat angles C4'-P-C4' energy: -12.372 flat angles P-C4'-P energy: -4.032 tors. eta vs tors. theta energy: -8.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -165.120196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.120196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.120196 (E_RNA) where: Base-Base interactions energy: -98.066 where: short stacking energy: -67.956 Base-Backbone interact. energy: -0.000 local terms energy: -67.053531 where: bonds (distance) C4'-P energy: -15.179 bonds (distance) P-C4' energy: -14.176 flat angles C4'-P-C4' energy: -10.963 flat angles P-C4'-P energy: -11.408 tors. eta vs tors. theta energy: -15.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -148.959206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.959206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.959206 (E_RNA) where: Base-Base interactions energy: -87.070 where: short stacking energy: -59.026 Base-Backbone interact. energy: -0.003 local terms energy: -61.886559 where: bonds (distance) C4'-P energy: -14.665 bonds (distance) P-C4' energy: -11.302 flat angles C4'-P-C4' energy: -13.367 flat angles P-C4'-P energy: -11.886 tors. eta vs tors. theta energy: -10.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -141.458013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.458013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.458013 (E_RNA) where: Base-Base interactions energy: -89.498 where: short stacking energy: -57.338 Base-Backbone interact. energy: -0.019 local terms energy: -51.940608 where: bonds (distance) C4'-P energy: -14.645 bonds (distance) P-C4' energy: -9.706 flat angles C4'-P-C4' energy: -13.353 flat angles P-C4'-P energy: -6.723 tors. eta vs tors. theta energy: -7.512 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: 6 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -138.211293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.211293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.211293 (E_RNA) where: Base-Base interactions energy: -78.375 where: short stacking energy: -52.336 Base-Backbone interact. energy: -0.027 local terms energy: -59.808969 where: bonds (distance) C4'-P energy: -5.722 bonds (distance) P-C4' energy: -14.009 flat angles C4'-P-C4' energy: -13.335 flat angles P-C4'-P energy: -11.590 tors. eta vs tors. theta energy: -15.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -130.162352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.162352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.162352 (E_RNA) where: Base-Base interactions energy: -78.305 where: short stacking energy: -40.045 Base-Backbone interact. energy: -0.598 local terms energy: -51.258975 where: bonds (distance) C4'-P energy: -11.925 bonds (distance) P-C4' energy: -13.050 flat angles C4'-P-C4' energy: -11.466 flat angles P-C4'-P energy: -7.207 tors. eta vs tors. theta energy: -7.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -93.974490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.974490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.974490 (E_RNA) where: Base-Base interactions energy: -42.960 where: short stacking energy: -42.777 Base-Backbone interact. energy: -0.108 local terms energy: -50.906970 where: bonds (distance) C4'-P energy: -8.852 bonds (distance) P-C4' energy: -12.377 flat angles C4'-P-C4' energy: -14.660 flat angles P-C4'-P energy: -4.325 tors. eta vs tors. theta energy: -10.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -98.315255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.315255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.315255 (E_RNA) where: Base-Base interactions energy: -42.259 where: short stacking energy: -42.259 Base-Backbone interact. energy: -0.020 local terms energy: -56.036288 where: bonds (distance) C4'-P energy: -13.573 bonds (distance) P-C4' energy: -10.486 flat angles C4'-P-C4' energy: -13.172 flat angles P-C4'-P energy: -7.175 tors. eta vs tors. theta energy: -11.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -73.977039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.977039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.977039 (E_RNA) where: Base-Base interactions energy: -37.464 where: short stacking energy: -30.701 Base-Backbone interact. energy: -1.308 local terms energy: -35.204890 where: bonds (distance) C4'-P energy: -10.529 bonds (distance) P-C4' energy: -9.030 flat angles C4'-P-C4' energy: -7.979 flat angles P-C4'-P energy: -6.181 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: 9, replica: 9 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -81.842701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.842701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.842701 (E_RNA) where: Base-Base interactions energy: -28.845 where: short stacking energy: -24.389 Base-Backbone interact. energy: -0.034 local terms energy: -52.963022 where: bonds (distance) C4'-P energy: -13.071 bonds (distance) P-C4' energy: -15.290 flat angles C4'-P-C4' energy: -13.909 flat angles P-C4'-P energy: -9.706 tors. eta vs tors. theta energy: -0.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -78.377493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.377493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.377493 (E_RNA) where: Base-Base interactions energy: -30.735 where: short stacking energy: -30.532 Base-Backbone interact. energy: -1.516 local terms energy: -46.126024 where: bonds (distance) C4'-P energy: -11.998 bonds (distance) P-C4' energy: -11.402 flat angles C4'-P-C4' energy: -8.771 flat angles P-C4'-P energy: -9.289 tors. eta vs tors. theta energy: -4.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -156.976673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.976673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.976673 (E_RNA) where: Base-Base interactions energy: -94.983 where: short stacking energy: -65.935 Base-Backbone interact. energy: -0.018 local terms energy: -61.976036 where: bonds (distance) C4'-P energy: -11.089 bonds (distance) P-C4' energy: -12.222 flat angles C4'-P-C4' energy: -13.440 flat angles P-C4'-P energy: -10.733 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: 2, replica: 7 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -158.871444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.871444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.871444 (E_RNA) where: Base-Base interactions energy: -91.742 where: short stacking energy: -60.745 Base-Backbone interact. energy: -0.000 local terms energy: -67.128809 where: bonds (distance) C4'-P energy: -12.750 bonds (distance) P-C4' energy: -12.941 flat angles C4'-P-C4' energy: -14.989 flat angles P-C4'-P energy: -13.005 tors. eta vs tors. theta energy: -13.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -137.253487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.253487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.253487 (E_RNA) where: Base-Base interactions energy: -82.752 where: short stacking energy: -53.358 Base-Backbone interact. energy: -0.103 local terms energy: -54.399188 where: bonds (distance) C4'-P energy: -12.446 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -12.771 flat angles P-C4'-P energy: -10.154 tors. eta vs tors. theta energy: -4.862 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: 4, replica: 3 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -139.229047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.229047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.229047 (E_RNA) where: Base-Base interactions energy: -83.313 where: short stacking energy: -53.624 Base-Backbone interact. energy: -0.012 local terms energy: -55.903593 where: bonds (distance) C4'-P energy: -12.401 bonds (distance) P-C4' energy: -13.276 flat angles C4'-P-C4' energy: -13.624 flat angles P-C4'-P energy: -8.868 tors. eta vs tors. theta energy: -7.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -101.376644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.376644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.376644 (E_RNA) where: Base-Base interactions energy: -48.699 where: short stacking energy: -48.475 Base-Backbone interact. energy: -0.122 local terms energy: -52.555407 where: bonds (distance) C4'-P energy: -11.491 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -15.000 flat angles P-C4'-P energy: -6.646 tors. eta vs tors. theta energy: -10.070 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: 6, replica: 8 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -107.028574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.028574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.028574 (E_RNA) where: Base-Base interactions energy: -47.443 where: short stacking energy: -43.606 Base-Backbone interact. energy: -0.009 local terms energy: -59.577074 where: bonds (distance) C4'-P energy: -10.678 bonds (distance) P-C4' energy: -13.774 flat angles C4'-P-C4' energy: -11.042 flat angles P-C4'-P energy: -10.157 tors. eta vs tors. theta energy: -13.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -123.978974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.978974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.978974 (E_RNA) where: Base-Base interactions energy: -70.512 where: short stacking energy: -41.682 Base-Backbone interact. energy: -0.815 local terms energy: -52.651820 where: bonds (distance) C4'-P energy: -13.304 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -7.949 flat angles P-C4'-P energy: -10.183 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: 10 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -87.390768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.390768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.390768 (E_RNA) where: Base-Base interactions energy: -41.233 where: short stacking energy: -41.233 Base-Backbone interact. energy: -0.277 local terms energy: -45.881534 where: bonds (distance) C4'-P energy: -11.802 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -7.422 flat angles P-C4'-P energy: -5.763 tors. eta vs tors. theta energy: -7.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -82.838697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.838697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.838697 (E_RNA) where: Base-Base interactions energy: -38.900 where: short stacking energy: -28.575 Base-Backbone interact. energy: 0.295 local terms energy: -44.233548 where: bonds (distance) C4'-P energy: -9.358 bonds (distance) P-C4' energy: -14.570 flat angles C4'-P-C4' energy: -9.139 flat angles P-C4'-P energy: -6.599 tors. eta vs tors. theta energy: -4.567 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: 176 Temperature: 1.350000 Total energy: -76.420471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.420471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.420471 (E_RNA) where: Base-Base interactions energy: -32.599 where: short stacking energy: -32.599 Base-Backbone interact. energy: -0.118 local terms energy: -43.703887 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -11.659 flat angles C4'-P-C4' energy: -10.703 flat angles P-C4'-P energy: -8.158 tors. eta vs tors. theta energy: -6.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -148.336970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.336970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.336970 (E_RNA) where: Base-Base interactions energy: -86.823 where: short stacking energy: -49.168 Base-Backbone interact. energy: -0.002 local terms energy: -61.512519 where: bonds (distance) C4'-P energy: -12.902 bonds (distance) P-C4' energy: -13.124 flat angles C4'-P-C4' energy: -12.675 flat angles P-C4'-P energy: -12.263 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: 2, replica: 6 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -155.030545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.030545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.030545 (E_RNA) where: Base-Base interactions energy: -86.726 where: short stacking energy: -58.275 Base-Backbone interact. energy: -0.366 local terms energy: -67.937878 where: bonds (distance) C4'-P energy: -13.926 bonds (distance) P-C4' energy: -16.249 flat angles C4'-P-C4' energy: -14.432 flat angles P-C4'-P energy: -7.524 tors. eta vs tors. theta energy: -15.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -155.453899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.453899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.453899 (E_RNA) where: Base-Base interactions energy: -90.986 where: short stacking energy: -57.860 Base-Backbone interact. energy: -0.053 local terms energy: -64.415335 where: bonds (distance) C4'-P energy: -11.754 bonds (distance) P-C4' energy: -13.225 flat angles C4'-P-C4' energy: -13.771 flat angles P-C4'-P energy: -8.666 tors. eta vs tors. theta energy: -16.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -138.821394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.821394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.821394 (E_RNA) where: Base-Base interactions energy: -89.808 where: short stacking energy: -59.535 Base-Backbone interact. energy: -0.035 local terms energy: -48.978402 where: bonds (distance) C4'-P energy: -7.698 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -9.733 flat angles P-C4'-P energy: -7.737 tors. eta vs tors. theta energy: -10.732 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: 2 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -122.537192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.537192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.537192 (E_RNA) where: Base-Base interactions energy: -68.085 where: short stacking energy: -54.868 Base-Backbone interact. energy: -0.004 local terms energy: -54.448344 where: bonds (distance) C4'-P energy: -9.809 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -11.287 flat angles P-C4'-P energy: -7.230 tors. eta vs tors. theta energy: -11.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -102.232421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.232421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.232421 (E_RNA) where: Base-Base interactions energy: -43.444 where: short stacking energy: -40.478 Base-Backbone interact. energy: -0.067 local terms energy: -58.721366 where: bonds (distance) C4'-P energy: -10.728 bonds (distance) P-C4' energy: -13.312 flat angles C4'-P-C4' energy: -13.488 flat angles P-C4'-P energy: -8.989 tors. eta vs tors. theta energy: -12.204 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: 7, replica: 4 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -116.914695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.914695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.914695 (E_RNA) where: Base-Base interactions energy: -69.537 where: short stacking energy: -43.175 Base-Backbone interact. energy: 0.279 local terms energy: -47.655911 where: bonds (distance) C4'-P energy: -8.538 bonds (distance) P-C4' energy: -13.613 flat angles C4'-P-C4' energy: -10.798 flat angles P-C4'-P energy: -7.354 tors. eta vs tors. theta energy: -7.353 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: 10 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -75.880949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.880949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.880949 (E_RNA) where: Base-Base interactions energy: -29.262 where: short stacking energy: -22.883 Base-Backbone interact. energy: -0.069 local terms energy: -46.549833 where: bonds (distance) C4'-P energy: -10.452 bonds (distance) P-C4' energy: -12.321 flat angles C4'-P-C4' energy: -13.738 flat angles P-C4'-P energy: -6.567 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: 1 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -82.542998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.542998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.542998 (E_RNA) where: Base-Base interactions energy: -38.269 where: short stacking energy: -35.509 Base-Backbone interact. energy: -0.021 local terms energy: -44.253375 where: bonds (distance) C4'-P energy: -10.583 bonds (distance) P-C4' energy: -12.029 flat angles C4'-P-C4' energy: -14.636 flat angles P-C4'-P energy: -4.669 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: 9 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -71.773435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.773435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.773435 (E_RNA) where: Base-Base interactions energy: -30.552 where: short stacking energy: -27.819 Base-Backbone interact. energy: -0.106 local terms energy: -41.116167 where: bonds (distance) C4'-P energy: -13.631 bonds (distance) P-C4' energy: -12.644 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -3.252 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: 6 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -160.880112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.880112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.880112 (E_RNA) where: Base-Base interactions energy: -95.783 where: short stacking energy: -58.159 Base-Backbone interact. energy: -0.017 local terms energy: -65.080648 where: bonds (distance) C4'-P energy: -14.496 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -13.226 flat angles P-C4'-P energy: -9.238 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: 2, replica: 5 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -148.294209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.294209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.294209 (E_RNA) where: Base-Base interactions energy: -91.422 where: short stacking energy: -58.426 Base-Backbone interact. energy: 0.116 local terms energy: -56.987919 where: bonds (distance) C4'-P energy: -7.490 bonds (distance) P-C4' energy: -13.229 flat angles C4'-P-C4' energy: -13.858 flat angles P-C4'-P energy: -8.479 tors. eta vs tors. theta energy: -13.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -151.004750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.004750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.004750 (E_RNA) where: Base-Base interactions energy: -91.894 where: short stacking energy: -60.336 Base-Backbone interact. energy: -0.023 local terms energy: -59.088210 where: bonds (distance) C4'-P energy: -11.904 bonds (distance) P-C4' energy: -15.215 flat angles C4'-P-C4' energy: -11.111 flat angles P-C4'-P energy: -7.540 tors. eta vs tors. theta energy: -13.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -150.085398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.085398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.085398 (E_RNA) where: Base-Base interactions energy: -96.846 where: short stacking energy: -67.757 Base-Backbone interact. energy: -0.005 local terms energy: -53.234567 where: bonds (distance) C4'-P energy: -13.324 bonds (distance) P-C4' energy: -9.169 flat angles C4'-P-C4' energy: -11.341 flat angles P-C4'-P energy: -4.210 tors. eta vs tors. theta energy: -15.191 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: 5, replica: 8 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -105.615670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.615670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.615670 (E_RNA) where: Base-Base interactions energy: -49.813 where: short stacking energy: -49.813 Base-Backbone interact. energy: -0.065 local terms energy: -55.738013 where: bonds (distance) C4'-P energy: -8.416 bonds (distance) P-C4' energy: -13.991 flat angles C4'-P-C4' energy: -12.884 flat angles P-C4'-P energy: -7.213 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: 6, replica: 2 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -90.467833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.467833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.467833 (E_RNA) where: Base-Base interactions energy: -39.431 where: short stacking energy: -38.665 Base-Backbone interact. energy: -0.410 local terms energy: -50.626539 where: bonds (distance) C4'-P energy: -14.967 bonds (distance) P-C4' energy: -12.175 flat angles C4'-P-C4' energy: -10.627 flat angles P-C4'-P energy: -4.711 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: 7, replica: 4 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -119.770105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.770105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.770105 (E_RNA) where: Base-Base interactions energy: -70.583 where: short stacking energy: -39.287 Base-Backbone interact. energy: -0.264 local terms energy: -48.922974 where: bonds (distance) C4'-P energy: -10.521 bonds (distance) P-C4' energy: -13.404 flat angles C4'-P-C4' energy: -11.076 flat angles P-C4'-P energy: -8.428 tors. eta vs tors. theta energy: -5.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -82.322639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.322639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.322639 (E_RNA) where: Base-Base interactions energy: -35.681 where: short stacking energy: -35.681 Base-Backbone interact. energy: -0.061 local terms energy: -46.580389 where: bonds (distance) C4'-P energy: -13.622 bonds (distance) P-C4' energy: -12.378 flat angles C4'-P-C4' energy: -10.657 flat angles P-C4'-P energy: -6.920 tors. eta vs tors. theta energy: -3.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -76.081472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.081472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.081472 (E_RNA) where: Base-Base interactions energy: -34.173 where: short stacking energy: -34.173 Base-Backbone interact. energy: -0.024 local terms energy: -41.884654 where: bonds (distance) C4'-P energy: -12.283 bonds (distance) P-C4' energy: -14.773 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -5.772 tors. eta vs tors. theta energy: -2.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -73.826026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.826026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.826026 (E_RNA) where: Base-Base interactions energy: -36.832 where: short stacking energy: -30.216 Base-Backbone interact. energy: 0.037 local terms energy: -37.030294 where: bonds (distance) C4'-P energy: -13.180 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.365 flat angles P-C4'-P energy: -8.475 tors. eta vs tors. theta energy: -2.585 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: 6 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -149.483166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.483166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.483166 (E_RNA) where: Base-Base interactions energy: -92.199 where: short stacking energy: -57.600 Base-Backbone interact. energy: -0.555 local terms energy: -56.729286 where: bonds (distance) C4'-P energy: -13.325 bonds (distance) P-C4' energy: -10.151 flat angles C4'-P-C4' energy: -15.670 flat angles P-C4'-P energy: -5.775 tors. eta vs tors. theta energy: -11.807 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: 7 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -157.227791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.227791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.227791 (E_RNA) where: Base-Base interactions energy: -97.247 where: short stacking energy: -61.109 Base-Backbone interact. energy: -0.002 local terms energy: -59.979014 where: bonds (distance) C4'-P energy: -13.332 bonds (distance) P-C4' energy: -10.351 flat angles C4'-P-C4' energy: -11.789 flat angles P-C4'-P energy: -8.047 tors. eta vs tors. theta energy: -16.459 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: 5 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -141.120535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.120535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.120535 (E_RNA) where: Base-Base interactions energy: -80.817 where: short stacking energy: -54.362 Base-Backbone interact. energy: -0.005 local terms energy: -60.298947 where: bonds (distance) C4'-P energy: -13.813 bonds (distance) P-C4' energy: -14.213 flat angles C4'-P-C4' energy: -11.780 flat angles P-C4'-P energy: -10.439 tors. eta vs tors. theta energy: -10.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -136.477532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.477532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.477532 (E_RNA) where: Base-Base interactions energy: -81.404 where: short stacking energy: -48.436 Base-Backbone interact. energy: -0.162 local terms energy: -54.911421 where: bonds (distance) C4'-P energy: -12.843 bonds (distance) P-C4' energy: -9.315 flat angles C4'-P-C4' energy: -10.089 flat angles P-C4'-P energy: -10.605 tors. eta vs tors. theta energy: -12.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -122.025356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.025356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.025356 (E_RNA) where: Base-Base interactions energy: -57.106 where: short stacking energy: -57.106 Base-Backbone interact. energy: -0.010 local terms energy: -64.909590 where: bonds (distance) C4'-P energy: -12.463 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -12.365 flat angles P-C4'-P energy: -11.505 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: 6, replica: 4 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -134.815073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.815073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.815073 (E_RNA) where: Base-Base interactions energy: -80.785 where: short stacking energy: -53.587 Base-Backbone interact. energy: -0.063 local terms energy: -53.967215 where: bonds (distance) C4'-P energy: -9.399 bonds (distance) P-C4' energy: -14.268 flat angles C4'-P-C4' energy: -12.859 flat angles P-C4'-P energy: -6.348 tors. eta vs tors. theta energy: -11.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -87.576962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.576962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.576962 (E_RNA) where: Base-Base interactions energy: -36.175 where: short stacking energy: -36.175 Base-Backbone interact. energy: -0.313 local terms energy: -51.088957 where: bonds (distance) C4'-P energy: -11.917 bonds (distance) P-C4' energy: -14.205 flat angles C4'-P-C4' energy: -10.467 flat angles P-C4'-P energy: -8.992 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: 8, replica: 9 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -77.301735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.301735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.301735 (E_RNA) where: Base-Base interactions energy: -30.553 where: short stacking energy: -28.924 Base-Backbone interact. energy: -0.098 local terms energy: -46.650474 where: bonds (distance) C4'-P energy: -9.400 bonds (distance) P-C4' energy: -13.337 flat angles C4'-P-C4' energy: -13.179 flat angles P-C4'-P energy: -4.007 tors. eta vs tors. theta energy: -6.728 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: 10 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -81.456416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.456416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.456416 (E_RNA) where: Base-Base interactions energy: -33.402 where: short stacking energy: -28.830 Base-Backbone interact. energy: -0.322 local terms energy: -47.733096 where: bonds (distance) C4'-P energy: -9.264 bonds (distance) P-C4' energy: -10.705 flat angles C4'-P-C4' energy: -10.278 flat angles P-C4'-P energy: -5.786 tors. eta vs tors. theta energy: -11.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -87.921113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.921113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.921113 (E_RNA) where: Base-Base interactions energy: -40.142 where: short stacking energy: -40.142 Base-Backbone interact. energy: -0.011 local terms energy: -47.768176 where: bonds (distance) C4'-P energy: -8.703 bonds (distance) P-C4' energy: -14.124 flat angles C4'-P-C4' energy: -9.320 flat angles P-C4'-P energy: -7.578 tors. eta vs tors. theta energy: -8.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -160.660415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.660415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.660415 (E_RNA) where: Base-Base interactions energy: -100.305 where: short stacking energy: -67.754 Base-Backbone interact. energy: -0.016 local terms energy: -60.338762 where: bonds (distance) C4'-P energy: -12.094 bonds (distance) P-C4' energy: -14.058 flat angles C4'-P-C4' energy: -11.942 flat angles P-C4'-P energy: -10.394 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: 2, replica: 6 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -160.749845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.749845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.749845 (E_RNA) where: Base-Base interactions energy: -100.282 where: short stacking energy: -62.943 Base-Backbone interact. energy: -0.011 local terms energy: -60.456490 where: bonds (distance) C4'-P energy: -9.760 bonds (distance) P-C4' energy: -14.428 flat angles C4'-P-C4' energy: -12.084 flat angles P-C4'-P energy: -8.206 tors. eta vs tors. theta energy: -15.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -143.516202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.516202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.516202 (E_RNA) where: Base-Base interactions energy: -86.749 where: short stacking energy: -56.026 Base-Backbone interact. energy: -0.463 local terms energy: -56.304286 where: bonds (distance) C4'-P energy: -10.434 bonds (distance) P-C4' energy: -13.163 flat angles C4'-P-C4' energy: -11.660 flat angles P-C4'-P energy: -7.889 tors. eta vs tors. theta energy: -13.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -146.205836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.205836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.205836 (E_RNA) where: Base-Base interactions energy: -79.847 where: short stacking energy: -50.175 Base-Backbone interact. energy: -0.480 local terms energy: -65.879199 where: bonds (distance) C4'-P energy: -12.840 bonds (distance) P-C4' energy: -15.087 flat angles C4'-P-C4' energy: -13.920 flat angles P-C4'-P energy: -11.837 tors. eta vs tors. theta energy: -12.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -101.785742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.785742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.785742 (E_RNA) where: Base-Base interactions energy: -44.031 where: short stacking energy: -40.694 Base-Backbone interact. energy: 0.281 local terms energy: -58.035846 where: bonds (distance) C4'-P energy: -13.216 bonds (distance) P-C4' energy: -12.030 flat angles C4'-P-C4' energy: -15.195 flat angles P-C4'-P energy: -7.758 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: 6, replica: 8 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -93.825086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.825086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.825086 (E_RNA) where: Base-Base interactions energy: -62.251 where: short stacking energy: -36.882 Base-Backbone interact. energy: -0.156 local terms energy: -31.418608 where: bonds (distance) C4'-P energy: -9.478 bonds (distance) P-C4' energy: -5.312 flat angles C4'-P-C4' energy: -8.888 flat angles P-C4'-P energy: -1.981 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: 9 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -82.762797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.762797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.762797 (E_RNA) where: Base-Base interactions energy: -38.779 where: short stacking energy: -36.906 Base-Backbone interact. energy: -0.159 local terms energy: -43.824976 where: bonds (distance) C4'-P energy: -11.967 bonds (distance) P-C4' energy: -14.103 flat angles C4'-P-C4' energy: -8.634 flat angles P-C4'-P energy: -7.025 tors. eta vs tors. theta energy: -2.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -82.815145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.815145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.815145 (E_RNA) where: Base-Base interactions energy: -42.118 where: short stacking energy: -42.118 Base-Backbone interact. energy: 0.574 local terms energy: -41.271133 where: bonds (distance) C4'-P energy: -11.192 bonds (distance) P-C4' energy: -11.296 flat angles C4'-P-C4' energy: -8.174 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -5.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -79.064868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.064868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.064868 (E_RNA) where: Base-Base interactions energy: -32.950 where: short stacking energy: -32.045 Base-Backbone interact. energy: 0.286 local terms energy: -46.400923 where: bonds (distance) C4'-P energy: -11.875 bonds (distance) P-C4' energy: -10.424 flat angles C4'-P-C4' energy: -10.276 flat angles P-C4'-P energy: -9.494 tors. eta vs tors. theta energy: -4.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -75.181080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.181080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.181080 (E_RNA) where: Base-Base interactions energy: -27.119 where: short stacking energy: -27.119 Base-Backbone interact. energy: -0.007 local terms energy: -48.054758 where: bonds (distance) C4'-P energy: -9.805 bonds (distance) P-C4' energy: -13.545 flat angles C4'-P-C4' energy: -13.610 flat angles P-C4'-P energy: -6.885 tors. eta vs tors. theta energy: -4.210 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: 7 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -161.627111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.627111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.627111 (E_RNA) where: Base-Base interactions energy: -97.643 where: short stacking energy: -67.536 Base-Backbone interact. energy: -0.001 local terms energy: -63.983103 where: bonds (distance) C4'-P energy: -13.772 bonds (distance) P-C4' energy: -15.112 flat angles C4'-P-C4' energy: -11.756 flat angles P-C4'-P energy: -8.795 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: 2, replica: 3 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -143.998443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.998443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.998443 (E_RNA) where: Base-Base interactions energy: -84.563 where: short stacking energy: -56.551 Base-Backbone interact. energy: -0.298 local terms energy: -59.137245 where: bonds (distance) C4'-P energy: -12.685 bonds (distance) P-C4' energy: -10.105 flat angles C4'-P-C4' energy: -14.903 flat angles P-C4'-P energy: -9.241 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: 3, replica: 6 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -159.862946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.862946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.862946 (E_RNA) where: Base-Base interactions energy: -94.777 where: short stacking energy: -59.919 Base-Backbone interact. energy: -0.449 local terms energy: -64.637447 where: bonds (distance) C4'-P energy: -13.188 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -14.084 flat angles P-C4'-P energy: -6.613 tors. eta vs tors. theta energy: -16.583 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: 181 Temperature: 1.050000 Total energy: -144.126429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.126429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.126429 (E_RNA) where: Base-Base interactions energy: -83.841 where: short stacking energy: -56.911 Base-Backbone interact. energy: -0.003 local terms energy: -60.282825 where: bonds (distance) C4'-P energy: -13.606 bonds (distance) P-C4' energy: -14.085 flat angles C4'-P-C4' energy: -12.525 flat angles P-C4'-P energy: -6.455 tors. eta vs tors. theta energy: -13.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -128.943091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.943091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.943091 (E_RNA) where: Base-Base interactions energy: -82.048 where: short stacking energy: -42.229 Base-Backbone interact. energy: -0.018 local terms energy: -46.876443 where: bonds (distance) C4'-P energy: -10.231 bonds (distance) P-C4' energy: -10.473 flat angles C4'-P-C4' energy: -8.660 flat angles P-C4'-P energy: -9.174 tors. eta vs tors. theta energy: -8.339 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: 9 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -103.073292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.073292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.073292 (E_RNA) where: Base-Base interactions energy: -53.867 where: short stacking energy: -35.501 Base-Backbone interact. energy: -0.046 local terms energy: -49.160504 where: bonds (distance) C4'-P energy: -10.244 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -11.218 flat angles P-C4'-P energy: -9.367 tors. eta vs tors. theta energy: -5.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -89.113325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.113325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.113325 (E_RNA) where: Base-Base interactions energy: -45.857 where: short stacking energy: -41.630 Base-Backbone interact. energy: 0.325 local terms energy: -43.581897 where: bonds (distance) C4'-P energy: -9.034 bonds (distance) P-C4' energy: -8.963 flat angles C4'-P-C4' energy: -11.140 flat angles P-C4'-P energy: -6.792 tors. eta vs tors. theta energy: -7.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -86.625378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.625378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.625378 (E_RNA) where: Base-Base interactions energy: -37.393 where: short stacking energy: -35.883 Base-Backbone interact. energy: -1.125 local terms energy: -48.108112 where: bonds (distance) C4'-P energy: -5.202 bonds (distance) P-C4' energy: -15.572 flat angles C4'-P-C4' energy: -12.672 flat angles P-C4'-P energy: -8.949 tors. eta vs tors. theta energy: -5.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -64.985527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.985527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.985527 (E_RNA) where: Base-Base interactions energy: -22.968 where: short stacking energy: -21.985 Base-Backbone interact. energy: -0.223 local terms energy: -41.795079 where: bonds (distance) C4'-P energy: -8.360 bonds (distance) P-C4' energy: -11.666 flat angles C4'-P-C4' energy: -11.879 flat angles P-C4'-P energy: -12.213 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: 10, replica: 10 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -66.861960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.861960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.861960 (E_RNA) where: Base-Base interactions energy: -22.486 where: short stacking energy: -22.486 Base-Backbone interact. energy: -0.748 local terms energy: -43.628386 where: bonds (distance) C4'-P energy: -12.074 bonds (distance) P-C4' energy: -12.895 flat angles C4'-P-C4' energy: -9.128 flat angles P-C4'-P energy: -7.389 tors. eta vs tors. theta energy: -2.142 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: 3 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -152.931224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.931224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.931224 (E_RNA) where: Base-Base interactions energy: -87.460 where: short stacking energy: -56.268 Base-Backbone interact. energy: -0.004 local terms energy: -65.466537 where: bonds (distance) C4'-P energy: -13.279 bonds (distance) P-C4' energy: -14.923 flat angles C4'-P-C4' energy: -14.989 flat angles P-C4'-P energy: -10.760 tors. eta vs tors. theta energy: -11.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -158.252488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.252488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.252488 (E_RNA) where: Base-Base interactions energy: -93.937 where: short stacking energy: -59.548 Base-Backbone interact. energy: -0.004 local terms energy: -64.311985 where: bonds (distance) C4'-P energy: -12.921 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -16.140 flat angles P-C4'-P energy: -6.726 tors. eta vs tors. theta energy: -13.271 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: 6 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -158.134016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.134016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.134016 (E_RNA) where: Base-Base interactions energy: -96.079 where: short stacking energy: -61.954 Base-Backbone interact. energy: -0.171 local terms energy: -61.883386 where: bonds (distance) C4'-P energy: -15.535 bonds (distance) P-C4' energy: -13.480 flat angles C4'-P-C4' energy: -11.378 flat angles P-C4'-P energy: -5.868 tors. eta vs tors. theta energy: -15.623 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: 4, replica: 5 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -137.436663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.436663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.436663 (E_RNA) where: Base-Base interactions energy: -83.804 where: short stacking energy: -52.825 Base-Backbone interact. energy: -0.017 local terms energy: -53.615845 where: bonds (distance) C4'-P energy: -13.614 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -8.464 flat angles P-C4'-P energy: -9.187 tors. eta vs tors. theta energy: -7.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -101.000406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.000406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.000406 (E_RNA) where: Base-Base interactions energy: -55.267 where: short stacking energy: -39.868 Base-Backbone interact. energy: -0.298 local terms energy: -45.435202 where: bonds (distance) C4'-P energy: -13.564 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -13.408 flat angles P-C4'-P energy: -2.042 tors. eta vs tors. theta energy: -2.212 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: 4 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -134.461613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.461613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.461613 (E_RNA) where: Base-Base interactions energy: -85.685 where: short stacking energy: -58.643 Base-Backbone interact. energy: -0.001 local terms energy: -48.775554 where: bonds (distance) C4'-P energy: -10.994 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -11.952 flat angles P-C4'-P energy: -2.123 tors. eta vs tors. theta energy: -13.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -84.599596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.599596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.599596 (E_RNA) where: Base-Base interactions energy: -43.181 where: short stacking energy: -43.181 Base-Backbone interact. energy: 0.581 local terms energy: -41.999697 where: bonds (distance) C4'-P energy: -7.529 bonds (distance) P-C4' energy: -9.253 flat angles C4'-P-C4' energy: -10.812 flat angles P-C4'-P energy: -9.000 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: 1 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -91.472716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.472716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.472716 (E_RNA) where: Base-Base interactions energy: -51.539 where: short stacking energy: -49.866 Base-Backbone interact. energy: 1.864 local terms energy: -41.797639 where: bonds (distance) C4'-P energy: -0.567 bonds (distance) P-C4' energy: -12.206 flat angles C4'-P-C4' energy: -12.347 flat angles P-C4'-P energy: -8.409 tors. eta vs tors. theta energy: -8.269 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: 10 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -98.309679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.309679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.309679 (E_RNA) where: Base-Base interactions energy: -45.262 where: short stacking energy: -40.140 Base-Backbone interact. energy: -0.000 local terms energy: -53.047093 where: bonds (distance) C4'-P energy: -12.115 bonds (distance) P-C4' energy: -12.162 flat angles C4'-P-C4' energy: -12.620 flat angles P-C4'-P energy: -7.971 tors. eta vs tors. theta energy: -8.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -79.541524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.541524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.541524 (E_RNA) where: Base-Base interactions energy: -35.852 where: short stacking energy: -34.976 Base-Backbone interact. energy: 0.075 local terms energy: -43.764593 where: bonds (distance) C4'-P energy: -11.392 bonds (distance) P-C4' energy: -11.864 flat angles C4'-P-C4' energy: -13.267 flat angles P-C4'-P energy: -5.764 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: 1, replica: 3 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -146.065507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.065507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.065507 (E_RNA) where: Base-Base interactions energy: -86.829 where: short stacking energy: -49.944 Base-Backbone interact. energy: -0.017 local terms energy: -59.219710 where: bonds (distance) C4'-P energy: -12.915 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -12.952 flat angles P-C4'-P energy: -9.689 tors. eta vs tors. theta energy: -9.682 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: 6 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -165.635013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.635013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.635013 (E_RNA) where: Base-Base interactions energy: -99.470 where: short stacking energy: -64.850 Base-Backbone interact. energy: -0.001 local terms energy: -66.163881 where: bonds (distance) C4'-P energy: -12.931 bonds (distance) P-C4' energy: -11.986 flat angles C4'-P-C4' energy: -15.137 flat angles P-C4'-P energy: -8.011 tors. eta vs tors. theta energy: -18.099 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: 7 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -144.510251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.510251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.510251 (E_RNA) where: Base-Base interactions energy: -85.263 where: short stacking energy: -52.184 Base-Backbone interact. energy: -0.599 local terms energy: -58.648250 where: bonds (distance) C4'-P energy: -12.670 bonds (distance) P-C4' energy: -13.634 flat angles C4'-P-C4' energy: -14.262 flat angles P-C4'-P energy: -8.595 tors. eta vs tors. theta energy: -9.487 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: 5 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -153.357713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.357713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.357713 (E_RNA) where: Base-Base interactions energy: -95.226 where: short stacking energy: -57.222 Base-Backbone interact. energy: -0.035 local terms energy: -58.096546 where: bonds (distance) C4'-P energy: -8.274 bonds (distance) P-C4' energy: -15.741 flat angles C4'-P-C4' energy: -11.266 flat angles P-C4'-P energy: -10.138 tors. eta vs tors. theta energy: -12.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -99.335076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.335076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.335076 (E_RNA) where: Base-Base interactions energy: -51.745 where: short stacking energy: -45.960 Base-Backbone interact. energy: -0.501 local terms energy: -47.089928 where: bonds (distance) C4'-P energy: -10.074 bonds (distance) P-C4' energy: -12.352 flat angles C4'-P-C4' energy: -10.595 flat angles P-C4'-P energy: -6.132 tors. eta vs tors. theta energy: -7.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -95.913541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.913541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.913541 (E_RNA) where: Base-Base interactions energy: -43.278 where: short stacking energy: -43.278 Base-Backbone interact. energy: -0.008 local terms energy: -52.627548 where: bonds (distance) C4'-P energy: -11.144 bonds (distance) P-C4' energy: -11.143 flat angles C4'-P-C4' energy: -14.146 flat angles P-C4'-P energy: -8.209 tors. eta vs tors. theta energy: -7.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -115.799429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.799429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.799429 (E_RNA) where: Base-Base interactions energy: -67.383 where: short stacking energy: -38.923 Base-Backbone interact. energy: -0.045 local terms energy: -48.370802 where: bonds (distance) C4'-P energy: -10.790 bonds (distance) P-C4' energy: -11.761 flat angles C4'-P-C4' energy: -13.601 flat angles P-C4'-P energy: -6.381 tors. eta vs tors. theta energy: -5.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -89.557692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.557692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.557692 (E_RNA) where: Base-Base interactions energy: -44.547 where: short stacking energy: -44.360 Base-Backbone interact. energy: -0.085 local terms energy: -44.925105 where: bonds (distance) C4'-P energy: -8.406 bonds (distance) P-C4' energy: -10.616 flat angles C4'-P-C4' energy: -10.382 flat angles P-C4'-P energy: -6.834 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: 9, replica: 1 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -81.967761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.967761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.967761 (E_RNA) where: Base-Base interactions energy: -33.218 where: short stacking energy: -32.438 Base-Backbone interact. energy: -0.027 local terms energy: -48.722291 where: bonds (distance) C4'-P energy: -11.677 bonds (distance) P-C4' energy: -12.587 flat angles C4'-P-C4' energy: -9.947 flat angles P-C4'-P energy: -8.008 tors. eta vs tors. theta energy: -6.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -91.951861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.951861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.951861 (E_RNA) where: Base-Base interactions energy: -45.830 where: short stacking energy: -41.891 Base-Backbone interact. energy: -0.008 local terms energy: -46.114698 where: bonds (distance) C4'-P energy: -11.689 bonds (distance) P-C4' energy: -10.937 flat angles C4'-P-C4' energy: -11.259 flat angles P-C4'-P energy: -2.039 tors. eta vs tors. theta energy: -10.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -160.446827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.446827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.446827 (E_RNA) where: Base-Base interactions energy: -93.178 where: short stacking energy: -54.893 Base-Backbone interact. energy: -0.000 local terms energy: -67.268013 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -11.996 flat angles C4'-P-C4' energy: -14.263 flat angles P-C4'-P energy: -10.173 tors. eta vs tors. theta energy: -16.386 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: 3 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -137.906431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.906431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.906431 (E_RNA) where: Base-Base interactions energy: -82.808 where: short stacking energy: -53.937 Base-Backbone interact. energy: -0.002 local terms energy: -55.097184 where: bonds (distance) C4'-P energy: -10.595 bonds (distance) P-C4' energy: -9.861 flat angles C4'-P-C4' energy: -14.855 flat angles P-C4'-P energy: -9.085 tors. eta vs tors. theta energy: -10.701 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: 3, replica: 5 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -134.116057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.116057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.116057 (E_RNA) where: Base-Base interactions energy: -80.739 where: short stacking energy: -49.355 Base-Backbone interact. energy: 0.065 local terms energy: -53.441402 where: bonds (distance) C4'-P energy: -13.590 bonds (distance) P-C4' energy: -12.194 flat angles C4'-P-C4' energy: -9.934 flat angles P-C4'-P energy: -10.764 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: 4, replica: 7 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -137.732714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.732714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.732714 (E_RNA) where: Base-Base interactions energy: -84.337 where: short stacking energy: -50.877 Base-Backbone interact. energy: -0.593 local terms energy: -52.802729 where: bonds (distance) C4'-P energy: -9.226 bonds (distance) P-C4' energy: -11.881 flat angles C4'-P-C4' energy: -14.707 flat angles P-C4'-P energy: -6.389 tors. eta vs tors. theta energy: -10.600 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: 8 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -87.013895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.013895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.013895 (E_RNA) where: Base-Base interactions energy: -37.972 where: short stacking energy: -30.565 Base-Backbone interact. energy: 0.102 local terms energy: -49.143417 where: bonds (distance) C4'-P energy: -13.255 bonds (distance) P-C4' energy: -13.093 flat angles C4'-P-C4' energy: -10.059 flat angles P-C4'-P energy: -9.856 tors. eta vs tors. theta energy: -2.880 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: 184 Temperature: 1.150000 Total energy: -105.764168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.764168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.764168 (E_RNA) where: Base-Base interactions energy: -53.028 where: short stacking energy: -51.546 Base-Backbone interact. energy: -0.088 local terms energy: -52.647993 where: bonds (distance) C4'-P energy: -13.278 bonds (distance) P-C4' energy: -12.616 flat angles C4'-P-C4' energy: -10.106 flat angles P-C4'-P energy: -6.973 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: 7, replica: 4 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -122.203461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.203461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.203461 (E_RNA) where: Base-Base interactions energy: -75.878 where: short stacking energy: -37.799 Base-Backbone interact. energy: -0.133 local terms energy: -46.192349 where: bonds (distance) C4'-P energy: -7.889 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -10.723 flat angles P-C4'-P energy: -7.337 tors. eta vs tors. theta energy: -7.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -94.984434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.984434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.984434 (E_RNA) where: Base-Base interactions energy: -42.774 where: short stacking energy: -38.851 Base-Backbone interact. energy: -0.077 local terms energy: -52.133259 where: bonds (distance) C4'-P energy: -11.349 bonds (distance) P-C4' energy: -12.869 flat angles C4'-P-C4' energy: -13.899 flat angles P-C4'-P energy: -7.008 tors. eta vs tors. theta energy: -7.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -67.328514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.328514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.328514 (E_RNA) where: Base-Base interactions energy: -28.588 where: short stacking energy: -28.588 Base-Backbone interact. energy: -0.086 local terms energy: -38.654321 where: bonds (distance) C4'-P energy: -5.579 bonds (distance) P-C4' energy: -14.227 flat angles C4'-P-C4' energy: -11.678 flat angles P-C4'-P energy: -5.673 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: 10, replica: 1 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -74.519674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.519674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.519674 (E_RNA) where: Base-Base interactions energy: -25.777 where: short stacking energy: -25.777 Base-Backbone interact. energy: -0.004 local terms energy: -48.738381 where: bonds (distance) C4'-P energy: -13.386 bonds (distance) P-C4' energy: -13.885 flat angles C4'-P-C4' energy: -10.912 flat angles P-C4'-P energy: -4.153 tors. eta vs tors. theta energy: -6.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -162.118229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.118229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.118229 (E_RNA) where: Base-Base interactions energy: -96.181 where: short stacking energy: -64.665 Base-Backbone interact. energy: -0.001 local terms energy: -65.935415 where: bonds (distance) C4'-P energy: -13.796 bonds (distance) P-C4' energy: -14.641 flat angles C4'-P-C4' energy: -9.928 flat angles P-C4'-P energy: -10.096 tors. eta vs tors. theta energy: -17.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -143.842862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.842862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.842862 (E_RNA) where: Base-Base interactions energy: -84.714 where: short stacking energy: -51.677 Base-Backbone interact. energy: -0.061 local terms energy: -59.068045 where: bonds (distance) C4'-P energy: -14.309 bonds (distance) P-C4' energy: -12.592 flat angles C4'-P-C4' energy: -12.974 flat angles P-C4'-P energy: -7.487 tors. eta vs tors. theta energy: -11.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -145.563432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.563432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.563432 (E_RNA) where: Base-Base interactions energy: -79.482 where: short stacking energy: -46.810 Base-Backbone interact. energy: -0.004 local terms energy: -66.077109 where: bonds (distance) C4'-P energy: -14.467 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -13.843 flat angles P-C4'-P energy: -9.935 tors. eta vs tors. theta energy: -12.548 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: 7 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -136.386014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.386014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.386014 (E_RNA) where: Base-Base interactions energy: -83.368 where: short stacking energy: -51.849 Base-Backbone interact. energy: -0.623 local terms energy: -52.394867 where: bonds (distance) C4'-P energy: -13.655 bonds (distance) P-C4' energy: -11.115 flat angles C4'-P-C4' energy: -15.888 flat angles P-C4'-P energy: -1.831 tors. eta vs tors. theta energy: -9.906 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: 185 Temperature: 1.100000 Total energy: -109.835476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.835476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.835476 (E_RNA) where: Base-Base interactions energy: -53.515 where: short stacking energy: -49.514 Base-Backbone interact. energy: -0.019 local terms energy: -56.301568 where: bonds (distance) C4'-P energy: -12.115 bonds (distance) P-C4' energy: -12.629 flat angles C4'-P-C4' energy: -13.549 flat angles P-C4'-P energy: -5.670 tors. eta vs tors. theta energy: -12.338 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: 4 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -120.820967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.820967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.820967 (E_RNA) where: Base-Base interactions energy: -75.563 where: short stacking energy: -41.596 Base-Backbone interact. energy: -0.215 local terms energy: -45.043192 where: bonds (distance) C4'-P energy: -8.493 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -8.596 flat angles P-C4'-P energy: -5.664 tors. eta vs tors. theta energy: -8.995 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: 7, replica: 9 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -90.229742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.229742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.229742 (E_RNA) where: Base-Base interactions energy: -38.831 where: short stacking energy: -34.072 Base-Backbone interact. energy: -0.328 local terms energy: -51.071369 where: bonds (distance) C4'-P energy: -14.939 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -11.691 flat angles P-C4'-P energy: -7.254 tors. eta vs tors. theta energy: -2.507 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: 8, replica: 2 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -74.310433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.310433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.310433 (E_RNA) where: Base-Base interactions energy: -30.435 where: short stacking energy: -23.988 Base-Backbone interact. energy: -0.736 local terms energy: -43.139245 where: bonds (distance) C4'-P energy: -10.514 bonds (distance) P-C4' energy: -11.809 flat angles C4'-P-C4' energy: -12.095 flat angles P-C4'-P energy: -7.140 tors. eta vs tors. theta energy: -1.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -77.623290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.623290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.623290 (E_RNA) where: Base-Base interactions energy: -39.943 where: short stacking energy: -36.359 Base-Backbone interact. energy: -0.937 local terms energy: -36.743343 where: bonds (distance) C4'-P energy: -11.156 bonds (distance) P-C4' energy: -8.549 flat angles C4'-P-C4' energy: -10.848 flat angles P-C4'-P energy: -3.640 tors. eta vs tors. theta energy: -2.550 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: 1 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -74.599031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.599031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.599031 (E_RNA) where: Base-Base interactions energy: -30.635 where: short stacking energy: -27.128 Base-Backbone interact. energy: -1.171 local terms energy: -42.793318 where: bonds (distance) C4'-P energy: -10.357 bonds (distance) P-C4' energy: -15.731 flat angles C4'-P-C4' energy: -13.321 flat angles P-C4'-P energy: -2.305 tors. eta vs tors. theta energy: -1.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -152.000822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.000822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.000822 (E_RNA) where: Base-Base interactions energy: -90.704 where: short stacking energy: -58.620 Base-Backbone interact. energy: -0.078 local terms energy: -61.219154 where: bonds (distance) C4'-P energy: -13.246 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -14.006 flat angles P-C4'-P energy: -8.931 tors. eta vs tors. theta energy: -10.433 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: 5 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -159.198623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.198623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.198623 (E_RNA) where: Base-Base interactions energy: -92.967 where: short stacking energy: -63.504 Base-Backbone interact. energy: -0.591 local terms energy: -65.640118 where: bonds (distance) C4'-P energy: -12.981 bonds (distance) P-C4' energy: -12.965 flat angles C4'-P-C4' energy: -14.623 flat angles P-C4'-P energy: -8.586 tors. eta vs tors. theta energy: -16.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -130.147943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.147943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.147943 (E_RNA) where: Base-Base interactions energy: -76.485 where: short stacking energy: -37.987 Base-Backbone interact. energy: -0.123 local terms energy: -53.540223 where: bonds (distance) C4'-P energy: -12.381 bonds (distance) P-C4' energy: -14.886 flat angles C4'-P-C4' energy: -7.330 flat angles P-C4'-P energy: -8.839 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: 4, replica: 3 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -132.249917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.249917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.249917 (E_RNA) where: Base-Base interactions energy: -80.911 where: short stacking energy: -48.249 Base-Backbone interact. energy: -0.563 local terms energy: -50.775106 where: bonds (distance) C4'-P energy: -10.534 bonds (distance) P-C4' energy: -14.167 flat angles C4'-P-C4' energy: -11.625 flat angles P-C4'-P energy: -4.620 tors. eta vs tors. theta energy: -9.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -146.705615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.705615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.705615 (E_RNA) where: Base-Base interactions energy: -84.921 where: short stacking energy: -49.034 Base-Backbone interact. energy: -0.135 local terms energy: -61.650337 where: bonds (distance) C4'-P energy: -13.373 bonds (distance) P-C4' energy: -14.914 flat angles C4'-P-C4' energy: -10.519 flat angles P-C4'-P energy: -7.448 tors. eta vs tors. theta energy: -15.396 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: 8 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -96.521072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.521072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.521072 (E_RNA) where: Base-Base interactions energy: -44.445 where: short stacking energy: -43.929 Base-Backbone interact. energy: -0.025 local terms energy: -52.050560 where: bonds (distance) C4'-P energy: -11.884 bonds (distance) P-C4' energy: -8.664 flat angles C4'-P-C4' energy: -12.152 flat angles P-C4'-P energy: -8.888 tors. eta vs tors. theta energy: -10.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -81.511914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.511914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.511914 (E_RNA) where: Base-Base interactions energy: -34.740 where: short stacking energy: -33.112 Base-Backbone interact. energy: 0.462 local terms energy: -47.234258 where: bonds (distance) C4'-P energy: -12.166 bonds (distance) P-C4' energy: -13.091 flat angles C4'-P-C4' energy: -10.885 flat angles P-C4'-P energy: -8.580 tors. eta vs tors. theta energy: -2.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -98.133047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.133047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.133047 (E_RNA) where: Base-Base interactions energy: -54.286 where: short stacking energy: -40.728 Base-Backbone interact. energy: -0.694 local terms energy: -43.152296 where: bonds (distance) C4'-P energy: -11.705 bonds (distance) P-C4' energy: -11.175 flat angles C4'-P-C4' energy: -8.654 flat angles P-C4'-P energy: -6.177 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: 9, replica: 10 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -88.928795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.928795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.928795 (E_RNA) where: Base-Base interactions energy: -44.130 where: short stacking energy: -38.164 Base-Backbone interact. energy: -0.672 local terms energy: -44.126909 where: bonds (distance) C4'-P energy: -12.637 bonds (distance) P-C4' energy: -10.813 flat angles C4'-P-C4' energy: -9.129 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: -6.929 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: 1 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -78.966861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.966861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.966861 (E_RNA) where: Base-Base interactions energy: -30.425 where: short stacking energy: -30.425 Base-Backbone interact. energy: -0.019 local terms energy: -48.523277 where: bonds (distance) C4'-P energy: -10.741 bonds (distance) P-C4' energy: -11.926 flat angles C4'-P-C4' energy: -13.234 flat angles P-C4'-P energy: -9.202 tors. eta vs tors. theta energy: -3.421 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: 6 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -161.523404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.523404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.523404 (E_RNA) where: Base-Base interactions energy: -95.377 where: short stacking energy: -62.280 Base-Backbone interact. energy: -0.009 local terms energy: -66.137134 where: bonds (distance) C4'-P energy: -13.100 bonds (distance) P-C4' energy: -12.670 flat angles C4'-P-C4' energy: -13.639 flat angles P-C4'-P energy: -11.254 tors. eta vs tors. theta energy: -15.474 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: 7 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -138.150496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.150496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.150496 (E_RNA) where: Base-Base interactions energy: -76.533 where: short stacking energy: -42.696 Base-Backbone interact. energy: -0.044 local terms energy: -61.573010 where: bonds (distance) C4'-P energy: -13.975 bonds (distance) P-C4' energy: -11.728 flat angles C4'-P-C4' energy: -11.881 flat angles P-C4'-P energy: -13.215 tors. eta vs tors. theta energy: -10.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -151.979914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.979914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.979914 (E_RNA) where: Base-Base interactions energy: -92.067 where: short stacking energy: -61.115 Base-Backbone interact. energy: -0.046 local terms energy: -59.867659 where: bonds (distance) C4'-P energy: -9.131 bonds (distance) P-C4' energy: -13.725 flat angles C4'-P-C4' energy: -14.314 flat angles P-C4'-P energy: -8.294 tors. eta vs tors. theta energy: -14.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -140.031281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.031281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.031281 (E_RNA) where: Base-Base interactions energy: -76.626 where: short stacking energy: -47.045 Base-Backbone interact. energy: -0.002 local terms energy: -63.404203 where: bonds (distance) C4'-P energy: -13.642 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -11.884 flat angles P-C4'-P energy: -11.493 tors. eta vs tors. theta energy: -11.732 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: 3 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -122.854042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.854042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.854042 (E_RNA) where: Base-Base interactions energy: -70.268 where: short stacking energy: -39.113 Base-Backbone interact. energy: -0.037 local terms energy: -52.548795 where: bonds (distance) C4'-P energy: -12.952 bonds (distance) P-C4' energy: -11.780 flat angles C4'-P-C4' energy: -14.402 flat angles P-C4'-P energy: -8.507 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: 6, replica: 2 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -91.372093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.372093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.372093 (E_RNA) where: Base-Base interactions energy: -38.613 where: short stacking energy: -33.520 Base-Backbone interact. energy: -0.003 local terms energy: -52.756139 where: bonds (distance) C4'-P energy: -14.190 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -10.523 flat angles P-C4'-P energy: -7.293 tors. eta vs tors. theta energy: -6.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -90.958735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.958735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.958735 (E_RNA) where: Base-Base interactions energy: -39.128 where: short stacking energy: -37.280 Base-Backbone interact. energy: -0.082 local terms energy: -51.748060 where: bonds (distance) C4'-P energy: -14.504 bonds (distance) P-C4' energy: -10.361 flat angles C4'-P-C4' energy: -10.958 flat angles P-C4'-P energy: -8.973 tors. eta vs tors. theta energy: -6.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -81.150607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.150607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.150607 (E_RNA) where: Base-Base interactions energy: -37.561 where: short stacking energy: -25.626 Base-Backbone interact. energy: -0.027 local terms energy: -43.562075 where: bonds (distance) C4'-P energy: -13.005 bonds (distance) P-C4' energy: -12.798 flat angles C4'-P-C4' energy: -9.508 flat angles P-C4'-P energy: -6.873 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: 9, replica: 9 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -77.773752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.773752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.773752 (E_RNA) where: Base-Base interactions energy: -25.638 where: short stacking energy: -25.638 Base-Backbone interact. energy: -0.187 local terms energy: -51.948485 where: bonds (distance) C4'-P energy: -10.580 bonds (distance) P-C4' energy: -13.750 flat angles C4'-P-C4' energy: -13.085 flat angles P-C4'-P energy: -7.603 tors. eta vs tors. theta energy: -6.930 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: 187 Temperature: 1.350000 Total energy: -75.218241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.218241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.218241 (E_RNA) where: Base-Base interactions energy: -24.290 where: short stacking energy: -24.290 Base-Backbone interact. energy: -0.085 local terms energy: -50.843523 where: bonds (distance) C4'-P energy: -11.822 bonds (distance) P-C4' energy: -13.444 flat angles C4'-P-C4' energy: -14.104 flat angles P-C4'-P energy: -7.881 tors. eta vs tors. theta energy: -3.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -157.737189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.737189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.737189 (E_RNA) where: Base-Base interactions energy: -93.515 where: short stacking energy: -54.498 Base-Backbone interact. energy: -1.021 local terms energy: -63.201157 where: bonds (distance) C4'-P energy: -13.063 bonds (distance) P-C4' energy: -16.231 flat angles C4'-P-C4' energy: -13.381 flat angles P-C4'-P energy: -5.986 tors. eta vs tors. theta energy: -14.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -142.232188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.232188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.232188 (E_RNA) where: Base-Base interactions energy: -87.587 where: short stacking energy: -56.911 Base-Backbone interact. energy: -0.447 local terms energy: -54.197964 where: bonds (distance) C4'-P energy: -7.130 bonds (distance) P-C4' energy: -14.508 flat angles C4'-P-C4' energy: -11.065 flat angles P-C4'-P energy: -8.340 tors. eta vs tors. theta energy: -13.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -149.986338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.986338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.986338 (E_RNA) where: Base-Base interactions energy: -85.606 where: short stacking energy: -51.324 Base-Backbone interact. energy: -0.101 local terms energy: -64.279150 where: bonds (distance) C4'-P energy: -12.033 bonds (distance) P-C4' energy: -15.799 flat angles C4'-P-C4' energy: -12.791 flat angles P-C4'-P energy: -12.246 tors. eta vs tors. theta energy: -11.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -141.686521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.686521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.686521 (E_RNA) where: Base-Base interactions energy: -82.553 where: short stacking energy: -51.441 Base-Backbone interact. energy: -0.083 local terms energy: -59.050368 where: bonds (distance) C4'-P energy: -14.360 bonds (distance) P-C4' energy: -11.150 flat angles C4'-P-C4' energy: -11.305 flat angles P-C4'-P energy: -8.278 tors. eta vs tors. theta energy: -13.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -132.152815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.152815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.152815 (E_RNA) where: Base-Base interactions energy: -82.670 where: short stacking energy: -45.243 Base-Backbone interact. energy: -0.143 local terms energy: -49.339864 where: bonds (distance) C4'-P energy: -15.055 bonds (distance) P-C4' energy: -8.034 flat angles C4'-P-C4' energy: -14.338 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -8.528 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: 2 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -96.252075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.252075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.252075 (E_RNA) where: Base-Base interactions energy: -44.849 where: short stacking energy: -42.401 Base-Backbone interact. energy: 2.007 local terms energy: -53.410012 where: bonds (distance) C4'-P energy: -13.407 bonds (distance) P-C4' energy: -16.242 flat angles C4'-P-C4' energy: -11.798 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -7.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -81.569681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.569681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.569681 (E_RNA) where: Base-Base interactions energy: -35.614 where: short stacking energy: -32.059 Base-Backbone interact. energy: -0.238 local terms energy: -45.717268 where: bonds (distance) C4'-P energy: -12.333 bonds (distance) P-C4' energy: -12.503 flat angles C4'-P-C4' energy: -13.968 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: -2.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -89.581910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.581910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.581910 (E_RNA) where: Base-Base interactions energy: -40.083 where: short stacking energy: -32.781 Base-Backbone interact. energy: -0.117 local terms energy: -49.381913 where: bonds (distance) C4'-P energy: -13.588 bonds (distance) P-C4' energy: -13.102 flat angles C4'-P-C4' energy: -13.176 flat angles P-C4'-P energy: -1.837 tors. eta vs tors. theta energy: -7.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -82.720191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.720191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.720191 (E_RNA) where: Base-Base interactions energy: -40.291 where: short stacking energy: -28.829 Base-Backbone interact. energy: -0.106 local terms energy: -42.322771 where: bonds (distance) C4'-P energy: -12.152 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -9.749 flat angles P-C4'-P energy: -2.943 tors. eta vs tors. theta energy: -3.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -71.859694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.859694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.859694 (E_RNA) where: Base-Base interactions energy: -35.505 where: short stacking energy: -26.072 Base-Backbone interact. energy: 0.645 local terms energy: -36.998858 where: bonds (distance) C4'-P energy: -9.300 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -11.219 flat angles P-C4'-P energy: -5.689 tors. eta vs tors. theta energy: -2.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -164.637265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.637265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.637265 (E_RNA) where: Base-Base interactions energy: -98.042 where: short stacking energy: -56.929 Base-Backbone interact. energy: -0.032 local terms energy: -66.562426 where: bonds (distance) C4'-P energy: -11.945 bonds (distance) P-C4' energy: -15.460 flat angles C4'-P-C4' energy: -12.890 flat angles P-C4'-P energy: -8.882 tors. eta vs tors. theta energy: -17.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -144.628995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.628995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.628995 (E_RNA) where: Base-Base interactions energy: -87.132 where: short stacking energy: -58.493 Base-Backbone interact. energy: -0.013 local terms energy: -57.484400 where: bonds (distance) C4'-P energy: -11.813 bonds (distance) P-C4' energy: -11.707 flat angles C4'-P-C4' energy: -14.789 flat angles P-C4'-P energy: -8.519 tors. eta vs tors. theta energy: -10.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -147.511862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.511862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.511862 (E_RNA) where: Base-Base interactions energy: -88.824 where: short stacking energy: -51.971 Base-Backbone interact. energy: 2.280 local terms energy: -60.968193 where: bonds (distance) C4'-P energy: -14.492 bonds (distance) P-C4' energy: -14.095 flat angles C4'-P-C4' energy: -12.467 flat angles P-C4'-P energy: -10.969 tors. eta vs tors. theta energy: -8.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -144.852586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.852586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.852586 (E_RNA) where: Base-Base interactions energy: -92.322 where: short stacking energy: -54.094 Base-Backbone interact. energy: -2.147 local terms energy: -50.384005 where: bonds (distance) C4'-P energy: -9.768 bonds (distance) P-C4' energy: -11.621 flat angles C4'-P-C4' energy: -12.327 flat angles P-C4'-P energy: -7.107 tors. eta vs tors. theta energy: -9.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -140.149619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.149619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.149619 (E_RNA) where: Base-Base interactions energy: -79.483 where: short stacking energy: -51.061 Base-Backbone interact. energy: -0.005 local terms energy: -60.662255 where: bonds (distance) C4'-P energy: -12.417 bonds (distance) P-C4' energy: -15.062 flat angles C4'-P-C4' energy: -12.497 flat angles P-C4'-P energy: -10.402 tors. eta vs tors. theta energy: -10.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -94.730133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.730133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.730133 (E_RNA) where: Base-Base interactions energy: -40.098 where: short stacking energy: -29.392 Base-Backbone interact. energy: -0.739 local terms energy: -53.893674 where: bonds (distance) C4'-P energy: -12.458 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -10.494 flat angles P-C4'-P energy: -6.837 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: 7, replica: 2 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -93.572968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.572968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.572968 (E_RNA) where: Base-Base interactions energy: -40.026 where: short stacking energy: -36.323 Base-Backbone interact. energy: -0.101 local terms energy: -53.445924 where: bonds (distance) C4'-P energy: -13.436 bonds (distance) P-C4' energy: -12.330 flat angles C4'-P-C4' energy: -10.509 flat angles P-C4'-P energy: -8.356 tors. eta vs tors. theta energy: -8.815 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: 1 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -79.921004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.921004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.921004 (E_RNA) where: Base-Base interactions energy: -36.915 where: short stacking energy: -35.986 Base-Backbone interact. energy: -0.144 local terms energy: -42.861432 where: bonds (distance) C4'-P energy: -10.257 bonds (distance) P-C4' energy: -9.039 flat angles C4'-P-C4' energy: -14.329 flat angles P-C4'-P energy: -3.260 tors. eta vs tors. theta energy: -5.976 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: 8 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -83.909301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.909301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.909301 (E_RNA) where: Base-Base interactions energy: -41.085 where: short stacking energy: -26.751 Base-Backbone interact. energy: -0.093 local terms energy: -42.731204 where: bonds (distance) C4'-P energy: -13.021 bonds (distance) P-C4' energy: -12.056 flat angles C4'-P-C4' energy: -11.333 flat angles P-C4'-P energy: -7.270 tors. eta vs tors. theta energy: 0.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -68.509478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.509478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.509478 (E_RNA) where: Base-Base interactions energy: -25.536 where: short stacking energy: -26.136 Base-Backbone interact. energy: -0.260 local terms energy: -42.713248 where: bonds (distance) C4'-P energy: -11.167 bonds (distance) P-C4' energy: -13.477 flat angles C4'-P-C4' energy: -8.744 flat angles P-C4'-P energy: -6.508 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: 1, replica: 6 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -161.078426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.078426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.078426 (E_RNA) where: Base-Base interactions energy: -91.981 where: short stacking energy: -61.739 Base-Backbone interact. energy: -0.043 local terms energy: -69.054773 where: bonds (distance) C4'-P energy: -13.928 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -13.613 flat angles P-C4'-P energy: -11.190 tors. eta vs tors. theta energy: -15.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -145.312287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.312287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.312287 (E_RNA) where: Base-Base interactions energy: -90.231 where: short stacking energy: -54.812 Base-Backbone interact. energy: -0.004 local terms energy: -55.076708 where: bonds (distance) C4'-P energy: -9.825 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -8.645 flat angles P-C4'-P energy: -9.311 tors. eta vs tors. theta energy: -14.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -146.916014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.916014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.916014 (E_RNA) where: Base-Base interactions energy: -85.816 where: short stacking energy: -48.674 Base-Backbone interact. energy: -0.296 local terms energy: -60.803410 where: bonds (distance) C4'-P energy: -8.855 bonds (distance) P-C4' energy: -16.033 flat angles C4'-P-C4' energy: -10.962 flat angles P-C4'-P energy: -10.388 tors. eta vs tors. theta energy: -14.565 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: 5 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -139.145665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.145665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.145665 (E_RNA) where: Base-Base interactions energy: -84.492 where: short stacking energy: -44.905 Base-Backbone interact. energy: -0.132 local terms energy: -54.520900 where: bonds (distance) C4'-P energy: -12.495 bonds (distance) P-C4' energy: -13.256 flat angles C4'-P-C4' energy: -12.780 flat angles P-C4'-P energy: -10.445 tors. eta vs tors. theta energy: -5.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -128.784581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.784581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.784581 (E_RNA) where: Base-Base interactions energy: -72.050 where: short stacking energy: -47.255 Base-Backbone interact. energy: -0.010 local terms energy: -56.724584 where: bonds (distance) C4'-P energy: -14.371 bonds (distance) P-C4' energy: -12.418 flat angles C4'-P-C4' energy: -12.569 flat angles P-C4'-P energy: -8.234 tors. eta vs tors. theta energy: -9.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -99.565040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.565040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.565040 (E_RNA) where: Base-Base interactions energy: -44.157 where: short stacking energy: -44.157 Base-Backbone interact. energy: -0.103 local terms energy: -55.304890 where: bonds (distance) C4'-P energy: -11.603 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -13.435 flat angles P-C4'-P energy: -9.235 tors. eta vs tors. theta energy: -7.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -89.209056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.209056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.209056 (E_RNA) where: Base-Base interactions energy: -44.028 where: short stacking energy: -39.345 Base-Backbone interact. energy: -0.002 local terms energy: -45.178861 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -13.159 flat angles C4'-P-C4' energy: -13.291 flat angles P-C4'-P energy: -7.626 tors. eta vs tors. theta energy: -4.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -77.367752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.367752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.367752 (E_RNA) where: Base-Base interactions energy: -32.539 where: short stacking energy: -32.539 Base-Backbone interact. energy: -1.249 local terms energy: -43.579918 where: bonds (distance) C4'-P energy: -11.708 bonds (distance) P-C4' energy: -9.635 flat angles C4'-P-C4' energy: -12.177 flat angles P-C4'-P energy: -9.084 tors. eta vs tors. theta energy: -0.977 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: 9 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -75.977419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.977419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.977419 (E_RNA) where: Base-Base interactions energy: -31.337 where: short stacking energy: -31.337 Base-Backbone interact. energy: -0.115 local terms energy: -44.525492 where: bonds (distance) C4'-P energy: -6.158 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -14.390 flat angles P-C4'-P energy: -6.522 tors. eta vs tors. theta energy: -2.856 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: 8 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -69.848537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.848537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.848537 (E_RNA) where: Base-Base interactions energy: -20.505 where: short stacking energy: -18.726 Base-Backbone interact. energy: -0.169 local terms energy: -49.174588 where: bonds (distance) C4'-P energy: -13.833 bonds (distance) P-C4' energy: -12.490 flat angles C4'-P-C4' energy: -9.308 flat angles P-C4'-P energy: -11.090 tors. eta vs tors. theta energy: -2.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -147.477692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.477692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.477692 (E_RNA) where: Base-Base interactions energy: -86.310 where: short stacking energy: -59.308 Base-Backbone interact. energy: -0.004 local terms energy: -61.163019 where: bonds (distance) C4'-P energy: -13.499 bonds (distance) P-C4' energy: -12.658 flat angles C4'-P-C4' energy: -9.781 flat angles P-C4'-P energy: -10.228 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: 2, replica: 7 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -156.585184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.585184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.585184 (E_RNA) where: Base-Base interactions energy: -92.512 where: short stacking energy: -58.861 Base-Backbone interact. energy: -0.002 local terms energy: -64.071436 where: bonds (distance) C4'-P energy: -13.590 bonds (distance) P-C4' energy: -14.572 flat angles C4'-P-C4' energy: -12.272 flat angles P-C4'-P energy: -10.082 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: 3, replica: 4 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -144.632243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.632243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.632243 (E_RNA) where: Base-Base interactions energy: -89.077 where: short stacking energy: -55.702 Base-Backbone interact. energy: -0.055 local terms energy: -55.500649 where: bonds (distance) C4'-P energy: -12.848 bonds (distance) P-C4' energy: -12.998 flat angles C4'-P-C4' energy: -11.531 flat angles P-C4'-P energy: -8.789 tors. eta vs tors. theta energy: -9.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -140.771546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.771546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.771546 (E_RNA) where: Base-Base interactions energy: -92.846 where: short stacking energy: -58.962 Base-Backbone interact. energy: -0.021 local terms energy: -47.904533 where: bonds (distance) C4'-P energy: -5.851 bonds (distance) P-C4' energy: -12.556 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: -9.442 tors. eta vs tors. theta energy: -12.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -144.321970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.321970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.321970 (E_RNA) where: Base-Base interactions energy: -79.776 where: short stacking energy: -44.572 Base-Backbone interact. energy: -0.002 local terms energy: -64.544216 where: bonds (distance) C4'-P energy: -12.222 bonds (distance) P-C4' energy: -15.055 flat angles C4'-P-C4' energy: -12.800 flat angles P-C4'-P energy: -10.948 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: 6, replica: 10 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -89.905561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.905561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.905561 (E_RNA) where: Base-Base interactions energy: -40.352 where: short stacking energy: -33.372 Base-Backbone interact. energy: -0.168 local terms energy: -49.385396 where: bonds (distance) C4'-P energy: -14.396 bonds (distance) P-C4' energy: -12.415 flat angles C4'-P-C4' energy: -7.102 flat angles P-C4'-P energy: -9.175 tors. eta vs tors. theta energy: -6.298 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: 1 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -83.708488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.708488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.708488 (E_RNA) where: Base-Base interactions energy: -40.170 where: short stacking energy: -38.518 Base-Backbone interact. energy: -0.094 local terms energy: -43.444680 where: bonds (distance) C4'-P energy: -11.991 bonds (distance) P-C4' energy: -12.408 flat angles C4'-P-C4' energy: -11.964 flat angles P-C4'-P energy: -1.513 tors. eta vs tors. theta energy: -5.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -93.715157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.715157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.715157 (E_RNA) where: Base-Base interactions energy: -41.216 where: short stacking energy: -37.502 Base-Backbone interact. energy: -0.101 local terms energy: -52.398136 where: bonds (distance) C4'-P energy: -13.896 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -11.686 flat angles P-C4'-P energy: -6.919 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: 9, replica: 9 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -80.877140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.877140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.877140 (E_RNA) where: Base-Base interactions energy: -35.675 where: short stacking energy: -30.426 Base-Backbone interact. energy: -0.172 local terms energy: -45.030054 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -10.579 flat angles C4'-P-C4' energy: -12.853 flat angles P-C4'-P energy: -8.820 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: 10, replica: 8 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -85.489980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.489980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.489980 (E_RNA) where: Base-Base interactions energy: -38.090 where: short stacking energy: -37.680 Base-Backbone interact. energy: -0.012 local terms energy: -47.387720 where: bonds (distance) C4'-P energy: -10.923 bonds (distance) P-C4' energy: -12.145 flat angles C4'-P-C4' energy: -10.354 flat angles P-C4'-P energy: -8.523 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: 1, replica: 7 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -153.993743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.993743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.993743 (E_RNA) where: Base-Base interactions energy: -92.305 where: short stacking energy: -59.714 Base-Backbone interact. energy: -1.031 local terms energy: -60.657495 where: bonds (distance) C4'-P energy: -10.641 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -14.208 flat angles P-C4'-P energy: -8.386 tors. eta vs tors. theta energy: -13.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -148.971488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.971488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.971488 (E_RNA) where: Base-Base interactions energy: -83.882 where: short stacking energy: -53.996 Base-Backbone interact. energy: -0.421 local terms energy: -64.668901 where: bonds (distance) C4'-P energy: -15.187 bonds (distance) P-C4' energy: -14.960 flat angles C4'-P-C4' energy: -11.112 flat angles P-C4'-P energy: -10.899 tors. eta vs tors. theta energy: -12.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -152.525919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.525919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.525919 (E_RNA) where: Base-Base interactions energy: -86.066 where: short stacking energy: -57.568 Base-Backbone interact. energy: -0.002 local terms energy: -66.458065 where: bonds (distance) C4'-P energy: -14.645 bonds (distance) P-C4' energy: -15.112 flat angles C4'-P-C4' energy: -14.619 flat angles P-C4'-P energy: -9.196 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: 4, replica: 4 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -121.058868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.058868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.058868 (E_RNA) where: Base-Base interactions energy: -68.023 where: short stacking energy: -38.642 Base-Backbone interact. energy: -0.084 local terms energy: -52.952344 where: bonds (distance) C4'-P energy: -13.068 bonds (distance) P-C4' energy: -12.284 flat angles C4'-P-C4' energy: -10.947 flat angles P-C4'-P energy: -10.848 tors. eta vs tors. theta energy: -5.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -135.578036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.578036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.578036 (E_RNA) where: Base-Base interactions energy: -84.557 where: short stacking energy: -54.233 Base-Backbone interact. energy: -0.568 local terms energy: -50.452467 where: bonds (distance) C4'-P energy: -12.433 bonds (distance) P-C4' energy: -10.406 flat angles C4'-P-C4' energy: -14.355 flat angles P-C4'-P energy: -4.237 tors. eta vs tors. theta energy: -9.021 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: 10 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -97.097176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.097176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.097176 (E_RNA) where: Base-Base interactions energy: -41.152 where: short stacking energy: -37.744 Base-Backbone interact. energy: -0.109 local terms energy: -55.836101 where: bonds (distance) C4'-P energy: -12.272 bonds (distance) P-C4' energy: -14.174 flat angles C4'-P-C4' energy: -13.349 flat angles P-C4'-P energy: -6.905 tors. eta vs tors. theta energy: -9.136 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: 2 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -96.567740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.567740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.567740 (E_RNA) where: Base-Base interactions energy: -41.029 where: short stacking energy: -37.568 Base-Backbone interact. energy: -0.153 local terms energy: -55.385967 where: bonds (distance) C4'-P energy: -14.074 bonds (distance) P-C4' energy: -11.728 flat angles C4'-P-C4' energy: -14.528 flat angles P-C4'-P energy: -9.479 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: 8, replica: 1 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -88.341540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.341540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.341540 (E_RNA) where: Base-Base interactions energy: -44.268 where: short stacking energy: -44.268 Base-Backbone interact. energy: -0.679 local terms energy: -43.394028 where: bonds (distance) C4'-P energy: -6.784 bonds (distance) P-C4' energy: -10.377 flat angles C4'-P-C4' energy: -14.882 flat angles P-C4'-P energy: -3.927 tors. eta vs tors. theta energy: -7.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -72.286010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.286010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.286010 (E_RNA) where: Base-Base interactions energy: -24.402 where: short stacking energy: -23.901 Base-Backbone interact. energy: 0.203 local terms energy: -48.086592 where: bonds (distance) C4'-P energy: -12.548 bonds (distance) P-C4' energy: -15.166 flat angles C4'-P-C4' energy: -9.675 flat angles P-C4'-P energy: -9.035 tors. eta vs tors. theta energy: -1.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -72.259507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.259507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.259507 (E_RNA) where: Base-Base interactions energy: -30.307 where: short stacking energy: -27.347 Base-Backbone interact. energy: -0.573 local terms energy: -41.379937 where: bonds (distance) C4'-P energy: -11.511 bonds (distance) P-C4' energy: -15.483 flat angles C4'-P-C4' energy: -8.888 flat angles P-C4'-P energy: -6.459 tors. eta vs tors. theta energy: 0.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -155.338709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.338709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.338709 (E_RNA) where: Base-Base interactions energy: -97.197 where: short stacking energy: -54.808 Base-Backbone interact. energy: -0.093 local terms energy: -58.048578 where: bonds (distance) C4'-P energy: -10.165 bonds (distance) P-C4' energy: -11.253 flat angles C4'-P-C4' energy: -11.996 flat angles P-C4'-P energy: -10.271 tors. eta vs tors. theta energy: -14.363 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: 193 Temperature: 0.950000 Total energy: -155.586212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.586212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.586212 (E_RNA) where: Base-Base interactions energy: -91.987 where: short stacking energy: -52.239 Base-Backbone interact. energy: -0.018 local terms energy: -63.580828 where: bonds (distance) C4'-P energy: -13.365 bonds (distance) P-C4' energy: -13.909 flat angles C4'-P-C4' energy: -13.236 flat angles P-C4'-P energy: -10.948 tors. eta vs tors. theta energy: -12.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -127.712705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.712705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.712705 (E_RNA) where: Base-Base interactions energy: -74.435 where: short stacking energy: -41.569 Base-Backbone interact. energy: -1.581 local terms energy: -51.696736 where: bonds (distance) C4'-P energy: -13.309 bonds (distance) P-C4' energy: -12.455 flat angles C4'-P-C4' energy: -13.655 flat angles P-C4'-P energy: -7.750 tors. eta vs tors. theta energy: -4.528 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: 193 Temperature: 1.050000 Total energy: -146.569956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.569956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.569956 (E_RNA) where: Base-Base interactions energy: -84.571 where: short stacking energy: -52.267 Base-Backbone interact. energy: -0.006 local terms energy: -61.992770 where: bonds (distance) C4'-P energy: -12.802 bonds (distance) P-C4' energy: -12.258 flat angles C4'-P-C4' energy: -14.090 flat angles P-C4'-P energy: -8.895 tors. eta vs tors. theta energy: -13.948 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: 4 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -142.290599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.290599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.290599 (E_RNA) where: Base-Base interactions energy: -86.325 where: short stacking energy: -52.894 Base-Backbone interact. energy: -0.081 local terms energy: -55.885087 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -11.405 flat angles C4'-P-C4' energy: -12.585 flat angles P-C4'-P energy: -11.264 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: 6, replica: 2 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -99.627975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.627975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.627975 (E_RNA) where: Base-Base interactions energy: -45.042 where: short stacking energy: -45.042 Base-Backbone interact. energy: -0.006 local terms energy: -54.580229 where: bonds (distance) C4'-P energy: -9.213 bonds (distance) P-C4' energy: -13.465 flat angles C4'-P-C4' energy: -10.704 flat angles P-C4'-P energy: -9.441 tors. eta vs tors. theta energy: -11.758 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: 10 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -109.403906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.403906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.403906 (E_RNA) where: Base-Base interactions energy: -44.300 where: short stacking energy: -41.361 Base-Backbone interact. energy: -0.519 local terms energy: -64.585240 where: bonds (distance) C4'-P energy: -12.310 bonds (distance) P-C4' energy: -15.323 flat angles C4'-P-C4' energy: -13.583 flat angles P-C4'-P energy: -8.536 tors. eta vs tors. theta energy: -14.833 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: 8 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -85.159145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.159145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.159145 (E_RNA) where: Base-Base interactions energy: -32.588 where: short stacking energy: -30.991 Base-Backbone interact. energy: -0.000 local terms energy: -52.571014 where: bonds (distance) C4'-P energy: -11.731 bonds (distance) P-C4' energy: -15.068 flat angles C4'-P-C4' energy: -12.832 flat angles P-C4'-P energy: -7.303 tors. eta vs tors. theta energy: -5.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -93.998219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.998219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.998219 (E_RNA) where: Base-Base interactions energy: -52.256 where: short stacking energy: -40.060 Base-Backbone interact. energy: -0.080 local terms energy: -41.661711 where: bonds (distance) C4'-P energy: -3.571 bonds (distance) P-C4' energy: -12.376 flat angles C4'-P-C4' energy: -10.285 flat angles P-C4'-P energy: -4.679 tors. eta vs tors. theta energy: -10.750 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: 9 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -78.973735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.973735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.973735 (E_RNA) where: Base-Base interactions energy: -29.150 where: short stacking energy: -27.129 Base-Backbone interact. energy: -0.930 local terms energy: -48.893534 where: bonds (distance) C4'-P energy: -15.349 bonds (distance) P-C4' energy: -10.288 flat angles C4'-P-C4' energy: -13.656 flat angles P-C4'-P energy: -7.332 tors. eta vs tors. theta energy: -2.269 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: 3 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -151.199818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.199818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.199818 (E_RNA) where: Base-Base interactions energy: -85.655 where: short stacking energy: -53.923 Base-Backbone interact. energy: -0.543 local terms energy: -65.001826 where: bonds (distance) C4'-P energy: -12.790 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -14.322 flat angles P-C4'-P energy: -10.193 tors. eta vs tors. theta energy: -13.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -155.750641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.750641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.750641 (E_RNA) where: Base-Base interactions energy: -99.945 where: short stacking energy: -57.120 Base-Backbone interact. energy: -0.161 local terms energy: -55.644591 where: bonds (distance) C4'-P energy: -10.111 bonds (distance) P-C4' energy: -13.322 flat angles C4'-P-C4' energy: -11.282 flat angles P-C4'-P energy: -7.727 tors. eta vs tors. theta energy: -13.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -145.152222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.152222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.152222 (E_RNA) where: Base-Base interactions energy: -87.347 where: short stacking energy: -43.273 Base-Backbone interact. energy: -1.470 local terms energy: -56.334962 where: bonds (distance) C4'-P energy: -13.002 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -12.556 flat angles P-C4'-P energy: -8.038 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: 4, replica: 6 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -123.162444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.162444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.162444 (E_RNA) where: Base-Base interactions energy: -75.862 where: short stacking energy: -47.159 Base-Backbone interact. energy: -0.021 local terms energy: -47.279686 where: bonds (distance) C4'-P energy: -9.733 bonds (distance) P-C4' energy: -13.788 flat angles C4'-P-C4' energy: -10.536 flat angles P-C4'-P energy: -6.799 tors. eta vs tors. theta energy: -6.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -127.425115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.425115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.425115 (E_RNA) where: Base-Base interactions energy: -68.891 where: short stacking energy: -44.616 Base-Backbone interact. energy: -0.466 local terms energy: -58.068090 where: bonds (distance) C4'-P energy: -14.246 bonds (distance) P-C4' energy: -12.637 flat angles C4'-P-C4' energy: -11.752 flat angles P-C4'-P energy: -7.896 tors. eta vs tors. theta energy: -11.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -85.812027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.812027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.812027 (E_RNA) where: Base-Base interactions energy: -37.226 where: short stacking energy: -37.226 Base-Backbone interact. energy: -0.073 local terms energy: -48.512455 where: bonds (distance) C4'-P energy: -10.224 bonds (distance) P-C4' energy: -13.888 flat angles C4'-P-C4' energy: -12.662 flat angles P-C4'-P energy: -7.718 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: 8 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -94.943662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.943662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.943662 (E_RNA) where: Base-Base interactions energy: -39.168 where: short stacking energy: -33.920 Base-Backbone interact. energy: -0.906 local terms energy: -54.869927 where: bonds (distance) C4'-P energy: -8.526 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -14.628 flat angles P-C4'-P energy: -10.376 tors. eta vs tors. theta energy: -6.289 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: 194 Temperature: 1.250000 Total energy: -78.299969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.299969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.299969 (E_RNA) where: Base-Base interactions energy: -35.005 where: short stacking energy: -35.005 Base-Backbone interact. energy: 0.256 local terms energy: -43.551017 where: bonds (distance) C4'-P energy: -12.214 bonds (distance) P-C4' energy: -14.532 flat angles C4'-P-C4' energy: -12.412 flat angles P-C4'-P energy: -2.334 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: 9, replica: 1 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -71.516408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.516408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.516408 (E_RNA) where: Base-Base interactions energy: -34.922 where: short stacking energy: -25.650 Base-Backbone interact. energy: -0.205 local terms energy: -36.389321 where: bonds (distance) C4'-P energy: -2.414 bonds (distance) P-C4' energy: -11.200 flat angles C4'-P-C4' energy: -10.714 flat angles P-C4'-P energy: -8.785 tors. eta vs tors. theta energy: -3.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -75.694731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.694731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.694731 (E_RNA) where: Base-Base interactions energy: -29.462 where: short stacking energy: -29.462 Base-Backbone interact. energy: -0.006 local terms energy: -46.227224 where: bonds (distance) C4'-P energy: -12.592 bonds (distance) P-C4' energy: -12.765 flat angles C4'-P-C4' energy: -11.783 flat angles P-C4'-P energy: -6.639 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: 1, replica: 3 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -161.023455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.023455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.023455 (E_RNA) where: Base-Base interactions energy: -94.818 where: short stacking energy: -56.158 Base-Backbone interact. energy: -0.958 local terms energy: -65.247206 where: bonds (distance) C4'-P energy: -12.814 bonds (distance) P-C4' energy: -14.227 flat angles C4'-P-C4' energy: -12.779 flat angles P-C4'-P energy: -11.505 tors. eta vs tors. theta energy: -13.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -149.591544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.591544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.591544 (E_RNA) where: Base-Base interactions energy: -84.876 where: short stacking energy: -52.454 Base-Backbone interact. energy: -0.658 local terms energy: -64.057577 where: bonds (distance) C4'-P energy: -13.428 bonds (distance) P-C4' energy: -15.445 flat angles C4'-P-C4' energy: -14.563 flat angles P-C4'-P energy: -7.625 tors. eta vs tors. theta energy: -12.996 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: 5 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -153.070034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.070034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.070034 (E_RNA) where: Base-Base interactions energy: -85.162 where: short stacking energy: -48.905 Base-Backbone interact. energy: -0.537 local terms energy: -67.370767 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -13.249 flat angles C4'-P-C4' energy: -14.413 flat angles P-C4'-P energy: -11.114 tors. eta vs tors. theta energy: -15.087 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: 195 Temperature: 1.050000 Total energy: -126.382472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.382472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.382472 (E_RNA) where: Base-Base interactions energy: -74.132 where: short stacking energy: -40.947 Base-Backbone interact. energy: -0.192 local terms energy: -52.057984 where: bonds (distance) C4'-P energy: -12.628 bonds (distance) P-C4' energy: -11.725 flat angles C4'-P-C4' energy: -14.425 flat angles P-C4'-P energy: -8.648 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: 5, replica: 6 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -125.267113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.267113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.267113 (E_RNA) where: Base-Base interactions energy: -76.175 where: short stacking energy: -43.055 Base-Backbone interact. energy: -0.189 local terms energy: -48.903125 where: bonds (distance) C4'-P energy: -9.220 bonds (distance) P-C4' energy: -13.026 flat angles C4'-P-C4' energy: -13.865 flat angles P-C4'-P energy: -3.613 tors. eta vs tors. theta energy: -9.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -94.045860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.045860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.045860 (E_RNA) where: Base-Base interactions energy: -40.725 where: short stacking energy: -40.725 Base-Backbone interact. energy: 0.702 local terms energy: -54.023120 where: bonds (distance) C4'-P energy: -12.816 bonds (distance) P-C4' energy: -11.026 flat angles C4'-P-C4' energy: -11.926 flat angles P-C4'-P energy: -7.128 tors. eta vs tors. theta energy: -11.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -96.815664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.815664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.815664 (E_RNA) where: Base-Base interactions energy: -40.457 where: short stacking energy: -40.457 Base-Backbone interact. energy: -0.103 local terms energy: -56.256010 where: bonds (distance) C4'-P energy: -14.840 bonds (distance) P-C4' energy: -12.771 flat angles C4'-P-C4' energy: -9.876 flat angles P-C4'-P energy: -8.550 tors. eta vs tors. theta energy: -10.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -76.326154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.326154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.326154 (E_RNA) where: Base-Base interactions energy: -35.696 where: short stacking energy: -34.715 Base-Backbone interact. energy: 0.161 local terms energy: -40.791745 where: bonds (distance) C4'-P energy: -10.030 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -3.538 flat angles P-C4'-P energy: -10.337 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: 9, replica: 10 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -77.642568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.642568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.642568 (E_RNA) where: Base-Base interactions energy: -31.845 where: short stacking energy: -22.205 Base-Backbone interact. energy: -0.139 local terms energy: -45.658310 where: bonds (distance) C4'-P energy: -12.380 bonds (distance) P-C4' energy: -15.538 flat angles C4'-P-C4' energy: -8.260 flat angles P-C4'-P energy: -5.881 tors. eta vs tors. theta energy: -3.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -87.142502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.142502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.142502 (E_RNA) where: Base-Base interactions energy: -33.619 where: short stacking energy: -33.619 Base-Backbone interact. energy: 0.272 local terms energy: -53.794954 where: bonds (distance) C4'-P energy: -13.162 bonds (distance) P-C4' energy: -14.332 flat angles C4'-P-C4' energy: -9.899 flat angles P-C4'-P energy: -7.156 tors. eta vs tors. theta energy: -9.246 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: 1, replica: 3 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -169.793170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.793170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.793170 (E_RNA) where: Base-Base interactions energy: -102.379 where: short stacking energy: -65.441 Base-Backbone interact. energy: -1.613 local terms energy: -65.800743 where: bonds (distance) C4'-P energy: -13.250 bonds (distance) P-C4' energy: -12.391 flat angles C4'-P-C4' energy: -14.769 flat angles P-C4'-P energy: -9.876 tors. eta vs tors. theta energy: -15.515 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: 2, replica: 7 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -153.936233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.936233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.936233 (E_RNA) where: Base-Base interactions energy: -95.140 where: short stacking energy: -51.558 Base-Backbone interact. energy: -0.744 local terms energy: -58.052281 where: bonds (distance) C4'-P energy: -11.555 bonds (distance) P-C4' energy: -11.312 flat angles C4'-P-C4' energy: -12.111 flat angles P-C4'-P energy: -10.348 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: 3, replica: 5 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -147.982943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.982943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.982943 (E_RNA) where: Base-Base interactions energy: -89.828 where: short stacking energy: -55.993 Base-Backbone interact. energy: -0.002 local terms energy: -58.153257 where: bonds (distance) C4'-P energy: -9.957 bonds (distance) P-C4' energy: -11.107 flat angles C4'-P-C4' energy: -11.566 flat angles P-C4'-P energy: -11.871 tors. eta vs tors. theta energy: -13.653 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: 4 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -135.209937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.209937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.209937 (E_RNA) where: Base-Base interactions energy: -78.240 where: short stacking energy: -51.971 Base-Backbone interact. energy: -0.028 local terms energy: -56.941618 where: bonds (distance) C4'-P energy: -14.815 bonds (distance) P-C4' energy: -9.731 flat angles C4'-P-C4' energy: -13.209 flat angles P-C4'-P energy: -8.540 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: 6 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -134.262164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.262164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.262164 (E_RNA) where: Base-Base interactions energy: -74.494 where: short stacking energy: -39.687 Base-Backbone interact. energy: -0.357 local terms energy: -59.411691 where: bonds (distance) C4'-P energy: -14.760 bonds (distance) P-C4' energy: -12.866 flat angles C4'-P-C4' energy: -14.447 flat angles P-C4'-P energy: -8.332 tors. eta vs tors. theta energy: -9.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -92.091478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.091478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.091478 (E_RNA) where: Base-Base interactions energy: -43.413 where: short stacking energy: -43.413 Base-Backbone interact. energy: -0.211 local terms energy: -48.467019 where: bonds (distance) C4'-P energy: -11.192 bonds (distance) P-C4' energy: -10.617 flat angles C4'-P-C4' energy: -15.009 flat angles P-C4'-P energy: -6.535 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: 7, replica: 1 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -87.015283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.015283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.015283 (E_RNA) where: Base-Base interactions energy: -35.667 where: short stacking energy: -31.672 Base-Backbone interact. energy: -0.033 local terms energy: -51.315271 where: bonds (distance) C4'-P energy: -11.225 bonds (distance) P-C4' energy: -13.213 flat angles C4'-P-C4' energy: -14.637 flat angles P-C4'-P energy: -7.124 tors. eta vs tors. theta energy: -5.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -97.843168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.843168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.843168 (E_RNA) where: Base-Base interactions energy: -46.157 where: short stacking energy: -45.230 Base-Backbone interact. energy: -0.133 local terms energy: -51.552329 where: bonds (distance) C4'-P energy: -12.402 bonds (distance) P-C4' energy: -9.755 flat angles C4'-P-C4' energy: -12.629 flat angles P-C4'-P energy: -7.081 tors. eta vs tors. theta energy: -9.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -87.980455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.980455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.980455 (E_RNA) where: Base-Base interactions energy: -53.667 where: short stacking energy: -24.419 Base-Backbone interact. energy: 1.256 local terms energy: -35.569563 where: bonds (distance) C4'-P energy: -11.279 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -11.070 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -0.872 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: 10, replica: 9 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -81.827683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.827683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.827683 (E_RNA) where: Base-Base interactions energy: -38.934 where: short stacking energy: -35.694 Base-Backbone interact. energy: -0.324 local terms energy: -42.570463 where: bonds (distance) C4'-P energy: -9.193 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -10.296 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: 1, replica: 3 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -158.684924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.684924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.684924 (E_RNA) where: Base-Base interactions energy: -96.316 where: short stacking energy: -59.549 Base-Backbone interact. energy: -1.155 local terms energy: -61.214407 where: bonds (distance) C4'-P energy: -11.261 bonds (distance) P-C4' energy: -13.536 flat angles C4'-P-C4' energy: -15.111 flat angles P-C4'-P energy: -9.227 tors. eta vs tors. theta energy: -12.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -161.222119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.222119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.222119 (E_RNA) where: Base-Base interactions energy: -94.267 where: short stacking energy: -56.685 Base-Backbone interact. energy: -0.084 local terms energy: -66.871001 where: bonds (distance) C4'-P energy: -12.037 bonds (distance) P-C4' energy: -13.940 flat angles C4'-P-C4' energy: -14.541 flat angles P-C4'-P energy: -11.268 tors. eta vs tors. theta energy: -15.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -147.123019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.123019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.123019 (E_RNA) where: Base-Base interactions energy: -93.883 where: short stacking energy: -61.271 Base-Backbone interact. energy: -0.033 local terms energy: -53.206221 where: bonds (distance) C4'-P energy: -7.793 bonds (distance) P-C4' energy: -14.188 flat angles C4'-P-C4' energy: -11.065 flat angles P-C4'-P energy: -7.493 tors. eta vs tors. theta energy: -12.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -138.141016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.141016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.141016 (E_RNA) where: Base-Base interactions energy: -79.958 where: short stacking energy: -53.852 Base-Backbone interact. energy: -0.099 local terms energy: -58.084345 where: bonds (distance) C4'-P energy: -12.601 bonds (distance) P-C4' energy: -15.094 flat angles C4'-P-C4' energy: -11.719 flat angles P-C4'-P energy: -7.768 tors. eta vs tors. theta energy: -10.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -120.630531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.630531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.630531 (E_RNA) where: Base-Base interactions energy: -73.926 where: short stacking energy: -44.002 Base-Backbone interact. energy: -0.048 local terms energy: -46.656808 where: bonds (distance) C4'-P energy: -9.917 bonds (distance) P-C4' energy: -10.744 flat angles C4'-P-C4' energy: -11.096 flat angles P-C4'-P energy: -10.823 tors. eta vs tors. theta energy: -4.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -104.369521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.369521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.369521 (E_RNA) where: Base-Base interactions energy: -49.670 where: short stacking energy: -49.670 Base-Backbone interact. energy: 0.001 local terms energy: -54.699878 where: bonds (distance) C4'-P energy: -13.531 bonds (distance) P-C4' energy: -6.806 flat angles C4'-P-C4' energy: -13.589 flat angles P-C4'-P energy: -8.582 tors. eta vs tors. theta energy: -12.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -92.359607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.359607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.359607 (E_RNA) where: Base-Base interactions energy: -45.731 where: short stacking energy: -40.698 Base-Backbone interact. energy: -0.009 local terms energy: -46.619287 where: bonds (distance) C4'-P energy: -11.502 bonds (distance) P-C4' energy: -11.713 flat angles C4'-P-C4' energy: -9.403 flat angles P-C4'-P energy: -6.716 tors. eta vs tors. theta energy: -7.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -86.872069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.872069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.872069 (E_RNA) where: Base-Base interactions energy: -35.031 where: short stacking energy: -32.499 Base-Backbone interact. energy: -0.228 local terms energy: -51.612978 where: bonds (distance) C4'-P energy: -11.441 bonds (distance) P-C4' energy: -14.467 flat angles C4'-P-C4' energy: -11.668 flat angles P-C4'-P energy: -9.303 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: 9, replica: 10 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -71.863274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.863274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.863274 (E_RNA) where: Base-Base interactions energy: -35.454 where: short stacking energy: -35.458 Base-Backbone interact. energy: 1.465 local terms energy: -37.874064 where: bonds (distance) C4'-P energy: -5.660 bonds (distance) P-C4' energy: -9.276 flat angles C4'-P-C4' energy: -13.506 flat angles P-C4'-P energy: -6.151 tors. eta vs tors. theta energy: -3.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -76.086129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.086129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.086129 (E_RNA) where: Base-Base interactions energy: -34.065 where: short stacking energy: -30.870 Base-Backbone interact. energy: -0.061 local terms energy: -41.959884 where: bonds (distance) C4'-P energy: -8.307 bonds (distance) P-C4' energy: -9.557 flat angles C4'-P-C4' energy: -10.785 flat angles P-C4'-P energy: -6.946 tors. eta vs tors. theta energy: -6.365 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: 1, replica: 5 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -157.132312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.132312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.132312 (E_RNA) where: Base-Base interactions energy: -95.360 where: short stacking energy: -66.828 Base-Backbone interact. energy: -0.001 local terms energy: -61.771713 where: bonds (distance) C4'-P energy: -9.636 bonds (distance) P-C4' energy: -12.391 flat angles C4'-P-C4' energy: -15.923 flat angles P-C4'-P energy: -10.423 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: 2, replica: 3 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -150.699805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.699805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.699805 (E_RNA) where: Base-Base interactions energy: -87.894 where: short stacking energy: -58.395 Base-Backbone interact. energy: -0.100 local terms energy: -62.706155 where: bonds (distance) C4'-P energy: -14.388 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -11.904 flat angles P-C4'-P energy: -8.096 tors. eta vs tors. theta energy: -15.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -143.970947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.970947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.970947 (E_RNA) where: Base-Base interactions energy: -84.604 where: short stacking energy: -49.654 Base-Backbone interact. energy: -0.051 local terms energy: -59.315921 where: bonds (distance) C4'-P energy: -13.535 bonds (distance) P-C4' energy: -14.104 flat angles C4'-P-C4' energy: -12.175 flat angles P-C4'-P energy: -6.216 tors. eta vs tors. theta energy: -13.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -146.592742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.592742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.592742 (E_RNA) where: Base-Base interactions energy: -93.191 where: short stacking energy: -62.506 Base-Backbone interact. energy: -0.058 local terms energy: -53.343798 where: bonds (distance) C4'-P energy: -7.835 bonds (distance) P-C4' energy: -12.508 flat angles C4'-P-C4' energy: -15.031 flat angles P-C4'-P energy: -5.385 tors. eta vs tors. theta energy: -12.585 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: 5, replica: 6 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -144.038550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.038550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.038550 (E_RNA) where: Base-Base interactions energy: -82.831 where: short stacking energy: -48.226 Base-Backbone interact. energy: 0.083 local terms energy: -61.290934 where: bonds (distance) C4'-P energy: -13.360 bonds (distance) P-C4' energy: -13.219 flat angles C4'-P-C4' energy: -10.193 flat angles P-C4'-P energy: -12.429 tors. eta vs tors. theta energy: -12.090 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: 1 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -101.865119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.865119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.865119 (E_RNA) where: Base-Base interactions energy: -51.316 where: short stacking energy: -45.118 Base-Backbone interact. energy: -0.070 local terms energy: -50.479267 where: bonds (distance) C4'-P energy: -8.323 bonds (distance) P-C4' energy: -11.902 flat angles C4'-P-C4' energy: -16.482 flat angles P-C4'-P energy: -8.729 tors. eta vs tors. theta energy: -5.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -92.298912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.298912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.298912 (E_RNA) where: Base-Base interactions energy: -47.997 where: short stacking energy: -41.076 Base-Backbone interact. energy: -0.108 local terms energy: -44.193737 where: bonds (distance) C4'-P energy: -11.519 bonds (distance) P-C4' energy: -14.195 flat angles C4'-P-C4' energy: -14.116 flat angles P-C4'-P energy: -1.650 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: 8, replica: 8 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -89.290435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.290435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.290435 (E_RNA) where: Base-Base interactions energy: -44.300 where: short stacking energy: -43.050 Base-Backbone interact. energy: -0.213 local terms energy: -44.776657 where: bonds (distance) C4'-P energy: -12.985 bonds (distance) P-C4' energy: -12.295 flat angles C4'-P-C4' energy: -6.088 flat angles P-C4'-P energy: -5.968 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: 9, replica: 9 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -79.372555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.372555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.372555 (E_RNA) where: Base-Base interactions energy: -37.853 where: short stacking energy: -37.853 Base-Backbone interact. energy: -0.149 local terms energy: -41.371017 where: bonds (distance) C4'-P energy: -8.931 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -9.731 flat angles P-C4'-P energy: -3.420 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: 10 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -91.095457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.095457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.095457 (E_RNA) where: Base-Base interactions energy: -48.685 where: short stacking energy: -22.069 Base-Backbone interact. energy: -0.230 local terms energy: -42.180619 where: bonds (distance) C4'-P energy: -13.552 bonds (distance) P-C4' energy: -12.254 flat angles C4'-P-C4' energy: -9.993 flat angles P-C4'-P energy: -7.055 tors. eta vs tors. theta energy: 0.674 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: 199 Temperature: 0.900000 Total energy: -165.037071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.037071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.037071 (E_RNA) where: Base-Base interactions energy: -102.815 where: short stacking energy: -61.061 Base-Backbone interact. energy: -0.004 local terms energy: -62.218527 where: bonds (distance) C4'-P energy: -11.900 bonds (distance) P-C4' energy: -14.790 flat angles C4'-P-C4' energy: -11.439 flat angles P-C4'-P energy: -11.356 tors. eta vs tors. theta energy: -12.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -148.691601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.691601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.691601 (E_RNA) where: Base-Base interactions energy: -93.345 where: short stacking energy: -61.935 Base-Backbone interact. energy: -0.026 local terms energy: -55.320760 where: bonds (distance) C4'-P energy: -12.926 bonds (distance) P-C4' energy: -12.176 flat angles C4'-P-C4' energy: -12.601 flat angles P-C4'-P energy: -5.035 tors. eta vs tors. theta energy: -12.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -150.773465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.773465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.773465 (E_RNA) where: Base-Base interactions energy: -86.611 where: short stacking energy: -55.818 Base-Backbone interact. energy: -1.028 local terms energy: -63.134715 where: bonds (distance) C4'-P energy: -13.905 bonds (distance) P-C4' energy: -12.806 flat angles C4'-P-C4' energy: -14.228 flat angles P-C4'-P energy: -8.624 tors. eta vs tors. theta energy: -13.572 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: 6 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -150.894515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.894515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.894515 (E_RNA) where: Base-Base interactions energy: -90.235 where: short stacking energy: -55.920 Base-Backbone interact. energy: -0.031 local terms energy: -60.629100 where: bonds (distance) C4'-P energy: -12.211 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -12.772 flat angles P-C4'-P energy: -7.793 tors. eta vs tors. theta energy: -13.644 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: 5, replica: 7 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -142.221055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.221055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.221055 (E_RNA) where: Base-Base interactions energy: -79.789 where: short stacking energy: -51.172 Base-Backbone interact. energy: -0.888 local terms energy: -61.544727 where: bonds (distance) C4'-P energy: -13.205 bonds (distance) P-C4' energy: -15.087 flat angles C4'-P-C4' energy: -14.634 flat angles P-C4'-P energy: -5.757 tors. eta vs tors. theta energy: -12.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -97.705782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.705782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.705782 (E_RNA) where: Base-Base interactions energy: -44.812 where: short stacking energy: -40.244 Base-Backbone interact. energy: 0.384 local terms energy: -53.277786 where: bonds (distance) C4'-P energy: -11.072 bonds (distance) P-C4' energy: -15.418 flat angles C4'-P-C4' energy: -10.900 flat angles P-C4'-P energy: -8.520 tors. eta vs tors. theta energy: -7.368 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: 7, replica: 1 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -84.929866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.929866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.929866 (E_RNA) where: Base-Base interactions energy: -40.155 where: short stacking energy: -40.155 Base-Backbone interact. energy: -0.059 local terms energy: -44.716166 where: bonds (distance) C4'-P energy: -9.825 bonds (distance) P-C4' energy: -10.458 flat angles C4'-P-C4' energy: -10.648 flat angles P-C4'-P energy: -6.501 tors. eta vs tors. theta energy: -7.286 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: 9 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -92.955264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.955264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.955264 (E_RNA) where: Base-Base interactions energy: -52.361 where: short stacking energy: -40.364 Base-Backbone interact. energy: -0.239 local terms energy: -40.355105 where: bonds (distance) C4'-P energy: -9.913 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -4.847 flat angles P-C4'-P energy: -4.083 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: 9, replica: 8 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -75.007559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.007559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.007559 (E_RNA) where: Base-Base interactions energy: -30.372 where: short stacking energy: -28.166 Base-Backbone interact. energy: 0.858 local terms energy: -45.493346 where: bonds (distance) C4'-P energy: -13.241 bonds (distance) P-C4' energy: -10.842 flat angles C4'-P-C4' energy: -10.268 flat angles P-C4'-P energy: -7.126 tors. eta vs tors. theta energy: -4.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -81.650314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.650314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.650314 (E_RNA) where: Base-Base interactions energy: -55.072 where: short stacking energy: -23.193 Base-Backbone interact. energy: 7.738 local terms energy: -34.315799 where: bonds (distance) C4'-P energy: -9.959 bonds (distance) P-C4' energy: -12.062 flat angles C4'-P-C4' energy: -11.569 flat angles P-C4'-P energy: -5.710 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: 5 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -161.979493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.979493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.979493 (E_RNA) where: Base-Base interactions energy: -98.672 where: short stacking energy: -61.917 Base-Backbone interact. energy: -0.773 local terms energy: -62.534342 where: bonds (distance) C4'-P energy: -13.287 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -13.773 flat angles P-C4'-P energy: -8.609 tors. eta vs tors. theta energy: -12.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -141.328849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.328849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.328849 (E_RNA) where: Base-Base interactions energy: -87.649 where: short stacking energy: -59.050 Base-Backbone interact. energy: 0.278 local terms energy: -53.957940 where: bonds (distance) C4'-P energy: -12.935 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -10.016 flat angles P-C4'-P energy: -7.005 tors. eta vs tors. theta energy: -10.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -142.510642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.510642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.510642 (E_RNA) where: Base-Base interactions energy: -90.558 where: short stacking energy: -59.889 Base-Backbone interact. energy: -0.414 local terms energy: -51.538214 where: bonds (distance) C4'-P energy: -13.900 bonds (distance) P-C4' energy: -2.587 flat angles C4'-P-C4' energy: -12.569 flat angles P-C4'-P energy: -8.543 tors. eta vs tors. theta energy: -13.940 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: 3 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -142.495827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.495827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.495827 (E_RNA) where: Base-Base interactions energy: -84.921 where: short stacking energy: -54.718 Base-Backbone interact. energy: -0.097 local terms energy: -57.478325 where: bonds (distance) C4'-P energy: -14.168 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -10.067 flat angles P-C4'-P energy: -5.065 tors. eta vs tors. theta energy: -13.755 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: 5, replica: 7 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -121.320227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.320227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.320227 (E_RNA) where: Base-Base interactions energy: -70.744 where: short stacking energy: -38.034 Base-Backbone interact. energy: 0.981 local terms energy: -51.557681 where: bonds (distance) C4'-P energy: -13.195 bonds (distance) P-C4' energy: -14.171 flat angles C4'-P-C4' energy: -11.119 flat angles P-C4'-P energy: -7.437 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: 6, replica: 2 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -99.351000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.351000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.351000 (E_RNA) where: Base-Base interactions energy: -44.224 where: short stacking energy: -41.460 Base-Backbone interact. energy: -0.196 local terms energy: -54.930846 where: bonds (distance) C4'-P energy: -11.548 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -12.050 flat angles P-C4'-P energy: -6.412 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: 7, replica: 9 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -87.857233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.857233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.857233 (E_RNA) where: Base-Base interactions energy: -30.601 where: short stacking energy: -30.601 Base-Backbone interact. energy: 0.462 local terms energy: -57.718418 where: bonds (distance) C4'-P energy: -15.179 bonds (distance) P-C4' energy: -12.131 flat angles C4'-P-C4' energy: -14.624 flat angles P-C4'-P energy: -9.480 tors. eta vs tors. theta energy: -6.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -90.778224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.778224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.778224 (E_RNA) where: Base-Base interactions energy: -44.575 where: short stacking energy: -39.770 Base-Backbone interact. energy: -0.277 local terms energy: -45.926490 where: bonds (distance) C4'-P energy: -11.588 bonds (distance) P-C4' energy: -13.253 flat angles C4'-P-C4' energy: -11.552 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -4.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -84.708274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.708274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.708274 (E_RNA) where: Base-Base interactions energy: -37.871 where: short stacking energy: -37.862 Base-Backbone interact. energy: -0.187 local terms energy: -46.649945 where: bonds (distance) C4'-P energy: -8.753 bonds (distance) P-C4' energy: -12.575 flat angles C4'-P-C4' energy: -11.496 flat angles P-C4'-P energy: -7.500 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: 10, replica: 8 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -80.068110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.068110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.068110 (E_RNA) where: Base-Base interactions energy: -30.511 where: short stacking energy: -30.495 Base-Backbone interact. energy: -0.070 local terms energy: -49.487587 where: bonds (distance) C4'-P energy: -9.887 bonds (distance) P-C4' energy: -12.631 flat angles C4'-P-C4' energy: -12.780 flat angles P-C4'-P energy: -10.212 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: 1, replica: 5 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -156.732236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.732236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.732236 (E_RNA) where: Base-Base interactions energy: -93.870 where: short stacking energy: -49.248 Base-Backbone interact. energy: -0.430 local terms energy: -62.431910 where: bonds (distance) C4'-P energy: -14.120 bonds (distance) P-C4' energy: -15.706 flat angles C4'-P-C4' energy: -12.677 flat angles P-C4'-P energy: -9.060 tors. eta vs tors. theta energy: -10.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -162.722343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.722343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.722343 (E_RNA) where: Base-Base interactions energy: -98.652 where: short stacking energy: -63.774 Base-Backbone interact. energy: -0.139 local terms energy: -63.931210 where: bonds (distance) C4'-P energy: -13.190 bonds (distance) P-C4' energy: -14.141 flat angles C4'-P-C4' energy: -14.889 flat angles P-C4'-P energy: -7.166 tors. eta vs tors. theta energy: -14.546 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: 4 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -141.749376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.749376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.749376 (E_RNA) where: Base-Base interactions energy: -84.029 where: short stacking energy: -55.637 Base-Backbone interact. energy: -0.722 local terms energy: -56.998320 where: bonds (distance) C4'-P energy: -8.269 bonds (distance) P-C4' energy: -14.875 flat angles C4'-P-C4' energy: -12.045 flat angles P-C4'-P energy: -7.386 tors. eta vs tors. theta energy: -14.423 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: 7 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -126.509563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.509563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.509563 (E_RNA) where: Base-Base interactions energy: -78.660 where: short stacking energy: -49.914 Base-Backbone interact. energy: -0.072 local terms energy: -47.777425 where: bonds (distance) C4'-P energy: -10.394 bonds (distance) P-C4' energy: -11.204 flat angles C4'-P-C4' energy: -15.000 flat angles P-C4'-P energy: -4.556 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: 5, replica: 3 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -135.940429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.940429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.940429 (E_RNA) where: Base-Base interactions energy: -75.519 where: short stacking energy: -43.707 Base-Backbone interact. energy: -0.022 local terms energy: -60.399866 where: bonds (distance) C4'-P energy: -12.115 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -15.361 flat angles P-C4'-P energy: -8.151 tors. eta vs tors. theta energy: -10.811 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: 2 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -107.342681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.342681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.342681 (E_RNA) where: Base-Base interactions energy: -53.116 where: short stacking energy: -34.824 Base-Backbone interact. energy: -0.307 local terms energy: -53.919809 where: bonds (distance) C4'-P energy: -12.174 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -11.765 flat angles P-C4'-P energy: -7.177 tors. eta vs tors. theta energy: -7.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -91.098854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.098854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.098854 (E_RNA) where: Base-Base interactions energy: -41.373 where: short stacking energy: -41.373 Base-Backbone interact. energy: -0.001 local terms energy: -49.724696 where: bonds (distance) C4'-P energy: -7.624 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -14.622 flat angles P-C4'-P energy: -6.969 tors. eta vs tors. theta energy: -6.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -78.178491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.178491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.178491 (E_RNA) where: Base-Base interactions energy: -31.975 where: short stacking energy: -31.606 Base-Backbone interact. energy: -0.101 local terms energy: -46.102735 where: bonds (distance) C4'-P energy: -13.564 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -9.150 flat angles P-C4'-P energy: -6.410 tors. eta vs tors. theta energy: -3.038 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: 1 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -82.293107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.293107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.293107 (E_RNA) where: Base-Base interactions energy: -35.776 where: short stacking energy: -35.776 Base-Backbone interact. energy: -0.072 local terms energy: -46.445210 where: bonds (distance) C4'-P energy: -12.923 bonds (distance) P-C4' energy: -10.755 flat angles C4'-P-C4' energy: -11.951 flat angles P-C4'-P energy: -5.667 tors. eta vs tors. theta energy: -5.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -74.363851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.363851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.363851 (E_RNA) where: Base-Base interactions energy: -27.801 where: short stacking energy: -27.801 Base-Backbone interact. energy: -0.090 local terms energy: -46.472246 where: bonds (distance) C4'-P energy: -12.836 bonds (distance) P-C4' energy: -14.886 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -8.874 tors. eta vs tors. theta energy: -3.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -158.503918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.503918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.503918 (E_RNA) where: Base-Base interactions energy: -100.601 where: short stacking energy: -58.874 Base-Backbone interact. energy: -0.008 local terms energy: -57.895084 where: bonds (distance) C4'-P energy: -9.874 bonds (distance) P-C4' energy: -12.550 flat angles C4'-P-C4' energy: -12.189 flat angles P-C4'-P energy: -9.916 tors. eta vs tors. theta energy: -13.366 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: 5 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -152.571967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.571967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.571967 (E_RNA) where: Base-Base interactions energy: -97.608 where: short stacking energy: -57.369 Base-Backbone interact. energy: -0.045 local terms energy: -54.919163 where: bonds (distance) C4'-P energy: -14.628 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -13.840 flat angles P-C4'-P energy: -9.144 tors. eta vs tors. theta energy: -9.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -147.815076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.815076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.815076 (E_RNA) where: Base-Base interactions energy: -90.637 where: short stacking energy: -58.961 Base-Backbone interact. energy: -0.014 local terms energy: -57.164514 where: bonds (distance) C4'-P energy: -10.291 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -13.329 flat angles P-C4'-P energy: -6.406 tors. eta vs tors. theta energy: -13.162 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: 7 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -138.726448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.726448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.726448 (E_RNA) where: Base-Base interactions energy: -84.428 where: short stacking energy: -47.328 Base-Backbone interact. energy: -0.118 local terms energy: -54.180053 where: bonds (distance) C4'-P energy: -8.389 bonds (distance) P-C4' energy: -11.716 flat angles C4'-P-C4' energy: -14.215 flat angles P-C4'-P energy: -9.530 tors. eta vs tors. theta energy: -10.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -122.070547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.070547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.070547 (E_RNA) where: Base-Base interactions energy: -69.119 where: short stacking energy: -37.984 Base-Backbone interact. energy: -0.129 local terms energy: -52.822438 where: bonds (distance) C4'-P energy: -10.015 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -15.363 flat angles P-C4'-P energy: -9.208 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: 6, replica: 2 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -88.513733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.513733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.513733 (E_RNA) where: Base-Base interactions energy: -42.955 where: short stacking energy: -36.764 Base-Backbone interact. energy: -0.241 local terms energy: -45.317276 where: bonds (distance) C4'-P energy: -8.580 bonds (distance) P-C4' energy: -13.398 flat angles C4'-P-C4' energy: -11.233 flat angles P-C4'-P energy: -7.123 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: 7, replica: 10 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -85.379469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.379469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.379469 (E_RNA) where: Base-Base interactions energy: -34.498 where: short stacking energy: -33.460 Base-Backbone interact. energy: -0.093 local terms energy: -50.787934 where: bonds (distance) C4'-P energy: -10.749 bonds (distance) P-C4' energy: -11.113 flat angles C4'-P-C4' energy: -11.985 flat angles P-C4'-P energy: -11.510 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: 8, replica: 9 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -78.207337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.207337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.207337 (E_RNA) where: Base-Base interactions energy: -34.230 where: short stacking energy: -31.173 Base-Backbone interact. energy: -0.320 local terms energy: -43.658219 where: bonds (distance) C4'-P energy: -12.269 bonds (distance) P-C4' energy: -7.475 flat angles C4'-P-C4' energy: -12.880 flat angles P-C4'-P energy: -9.469 tors. eta vs tors. theta energy: -1.564 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: 202 Temperature: 1.300000 Total energy: -72.635382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.635382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.635382 (E_RNA) where: Base-Base interactions energy: -31.530 where: short stacking energy: -27.076 Base-Backbone interact. energy: 1.146 local terms energy: -42.250924 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -6.071 flat angles C4'-P-C4' energy: -12.673 flat angles P-C4'-P energy: -8.511 tors. eta vs tors. theta energy: -0.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -69.868197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.868197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.868197 (E_RNA) where: Base-Base interactions energy: -29.769 where: short stacking energy: -22.805 Base-Backbone interact. energy: -0.077 local terms energy: -40.021999 where: bonds (distance) C4'-P energy: -13.779 bonds (distance) P-C4' energy: -11.999 flat angles C4'-P-C4' energy: -9.521 flat angles P-C4'-P energy: -6.650 tors. eta vs tors. theta energy: 1.926 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: 6 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -163.161457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.161457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.161457 (E_RNA) where: Base-Base interactions energy: -99.810 where: short stacking energy: -64.748 Base-Backbone interact. energy: -0.098 local terms energy: -63.253903 where: bonds (distance) C4'-P energy: -11.866 bonds (distance) P-C4' energy: -14.014 flat angles C4'-P-C4' energy: -13.356 flat angles P-C4'-P energy: -8.701 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: 4 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -143.052602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.052602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.052602 (E_RNA) where: Base-Base interactions energy: -84.491 where: short stacking energy: -53.592 Base-Backbone interact. energy: -0.195 local terms energy: -58.365775 where: bonds (distance) C4'-P energy: -12.558 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -13.490 flat angles P-C4'-P energy: -9.014 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: 3, replica: 5 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -150.587850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.587850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.587850 (E_RNA) where: Base-Base interactions energy: -88.684 where: short stacking energy: -58.349 Base-Backbone interact. energy: -0.002 local terms energy: -61.901628 where: bonds (distance) C4'-P energy: -11.552 bonds (distance) P-C4' energy: -12.768 flat angles C4'-P-C4' energy: -14.816 flat angles P-C4'-P energy: -9.408 tors. eta vs tors. theta energy: -13.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -128.884814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.884814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.884814 (E_RNA) where: Base-Base interactions energy: -74.256 where: short stacking energy: -48.349 Base-Backbone interact. energy: -0.175 local terms energy: -54.453997 where: bonds (distance) C4'-P energy: -14.252 bonds (distance) P-C4' energy: -9.658 flat angles C4'-P-C4' energy: -11.656 flat angles P-C4'-P energy: -8.310 tors. eta vs tors. theta energy: -10.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -133.863380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.863380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.863380 (E_RNA) where: Base-Base interactions energy: -80.200 where: short stacking energy: -48.029 Base-Backbone interact. energy: -0.024 local terms energy: -53.639254 where: bonds (distance) C4'-P energy: -11.999 bonds (distance) P-C4' energy: -12.951 flat angles C4'-P-C4' energy: -13.022 flat angles P-C4'-P energy: -6.927 tors. eta vs tors. theta energy: -8.741 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: 10 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -96.907385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.907385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.907385 (E_RNA) where: Base-Base interactions energy: -42.643 where: short stacking energy: -39.443 Base-Backbone interact. energy: -0.016 local terms energy: -54.248246 where: bonds (distance) C4'-P energy: -10.108 bonds (distance) P-C4' energy: -14.155 flat angles C4'-P-C4' energy: -11.649 flat angles P-C4'-P energy: -8.701 tors. eta vs tors. theta energy: -9.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -81.473713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.473713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.473713 (E_RNA) where: Base-Base interactions energy: -36.915 where: short stacking energy: -28.419 Base-Backbone interact. energy: 0.095 local terms energy: -44.654363 where: bonds (distance) C4'-P energy: -8.762 bonds (distance) P-C4' energy: -12.476 flat angles C4'-P-C4' energy: -13.673 flat angles P-C4'-P energy: -6.039 tors. eta vs tors. theta energy: -3.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -89.888878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.888878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.888878 (E_RNA) where: Base-Base interactions energy: -50.279 where: short stacking energy: -27.065 Base-Backbone interact. energy: -0.568 local terms energy: -39.042413 where: bonds (distance) C4'-P energy: -5.571 bonds (distance) P-C4' energy: -12.862 flat angles C4'-P-C4' energy: -9.388 flat angles P-C4'-P energy: -8.098 tors. eta vs tors. theta energy: -3.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -91.503948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.503948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.503948 (E_RNA) where: Base-Base interactions energy: -45.165 where: short stacking energy: -31.342 Base-Backbone interact. energy: -0.467 local terms energy: -45.872674 where: bonds (distance) C4'-P energy: -9.681 bonds (distance) P-C4' energy: -11.038 flat angles C4'-P-C4' energy: -13.334 flat angles P-C4'-P energy: -8.274 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: 10, replica: 8 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -79.033693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.033693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.033693 (E_RNA) where: Base-Base interactions energy: -35.147 where: short stacking energy: -32.944 Base-Backbone interact. energy: -0.168 local terms energy: -43.719053 where: bonds (distance) C4'-P energy: -9.085 bonds (distance) P-C4' energy: -10.037 flat angles C4'-P-C4' energy: -14.563 flat angles P-C4'-P energy: -6.523 tors. eta vs tors. theta energy: -3.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -152.672710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.672710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.672710 (E_RNA) where: Base-Base interactions energy: -98.086 where: short stacking energy: -70.206 Base-Backbone interact. energy: -0.061 local terms energy: -54.526585 where: bonds (distance) C4'-P energy: -11.010 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -10.285 flat angles P-C4'-P energy: -4.644 tors. eta vs tors. theta energy: -14.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -146.107843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.107843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.107843 (E_RNA) where: Base-Base interactions energy: -92.058 where: short stacking energy: -54.632 Base-Backbone interact. energy: -0.036 local terms energy: -54.013326 where: bonds (distance) C4'-P energy: -10.446 bonds (distance) P-C4' energy: -10.623 flat angles C4'-P-C4' energy: -13.879 flat angles P-C4'-P energy: -8.566 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: 3, replica: 3 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -146.796784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.796784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.796784 (E_RNA) where: Base-Base interactions energy: -88.714 where: short stacking energy: -54.076 Base-Backbone interact. energy: -0.166 local terms energy: -57.916763 where: bonds (distance) C4'-P energy: -12.749 bonds (distance) P-C4' energy: -11.588 flat angles C4'-P-C4' energy: -12.236 flat angles P-C4'-P energy: -8.932 tors. eta vs tors. theta energy: -12.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -142.985230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.985230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.985230 (E_RNA) where: Base-Base interactions energy: -81.788 where: short stacking energy: -47.452 Base-Backbone interact. energy: -0.171 local terms energy: -61.025678 where: bonds (distance) C4'-P energy: -13.226 bonds (distance) P-C4' energy: -14.057 flat angles C4'-P-C4' energy: -13.498 flat angles P-C4'-P energy: -10.842 tors. eta vs tors. theta energy: -9.403 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: 7 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -126.183859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.183859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.183859 (E_RNA) where: Base-Base interactions energy: -72.155 where: short stacking energy: -49.230 Base-Backbone interact. energy: -0.022 local terms energy: -54.006355 where: bonds (distance) C4'-P energy: -12.228 bonds (distance) P-C4' energy: -11.710 flat angles C4'-P-C4' energy: -13.005 flat angles P-C4'-P energy: -7.858 tors. eta vs tors. theta energy: -9.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -98.900362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.900362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.900362 (E_RNA) where: Base-Base interactions energy: -40.930 where: short stacking energy: -35.275 Base-Backbone interact. energy: -0.614 local terms energy: -57.356272 where: bonds (distance) C4'-P energy: -13.772 bonds (distance) P-C4' energy: -13.054 flat angles C4'-P-C4' energy: -14.723 flat angles P-C4'-P energy: -12.018 tors. eta vs tors. theta energy: -3.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -78.535985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.535985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.535985 (E_RNA) where: Base-Base interactions energy: -35.408 where: short stacking energy: -33.876 Base-Backbone interact. energy: -0.158 local terms energy: -42.970165 where: bonds (distance) C4'-P energy: -9.930 bonds (distance) P-C4' energy: -12.741 flat angles C4'-P-C4' energy: -10.775 flat angles P-C4'-P energy: -6.553 tors. eta vs tors. theta energy: -2.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -76.246533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.246533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.246533 (E_RNA) where: Base-Base interactions energy: -22.495 where: short stacking energy: -22.495 Base-Backbone interact. energy: -0.568 local terms energy: -53.182880 where: bonds (distance) C4'-P energy: -13.845 bonds (distance) P-C4' energy: -14.339 flat angles C4'-P-C4' energy: -11.649 flat angles P-C4'-P energy: -8.814 tors. eta vs tors. theta energy: -4.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -86.157841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.157841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.157841 (E_RNA) where: Base-Base interactions energy: -38.313 where: short stacking energy: -25.010 Base-Backbone interact. energy: -0.642 local terms energy: -47.202402 where: bonds (distance) C4'-P energy: -13.226 bonds (distance) P-C4' energy: -13.063 flat angles C4'-P-C4' energy: -10.205 flat angles P-C4'-P energy: -8.460 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: 9 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -72.653875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.653875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.653875 (E_RNA) where: Base-Base interactions energy: -31.864 where: short stacking energy: -29.172 Base-Backbone interact. energy: -0.123 local terms energy: -40.667545 where: bonds (distance) C4'-P energy: -10.392 bonds (distance) P-C4' energy: -12.578 flat angles C4'-P-C4' energy: -6.214 flat angles P-C4'-P energy: -7.565 tors. eta vs tors. theta energy: -3.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -161.544178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.544178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.544178 (E_RNA) where: Base-Base interactions energy: -96.763 where: short stacking energy: -63.243 Base-Backbone interact. energy: -0.622 local terms energy: -64.159316 where: bonds (distance) C4'-P energy: -12.309 bonds (distance) P-C4' energy: -15.090 flat angles C4'-P-C4' energy: -11.773 flat angles P-C4'-P energy: -9.766 tors. eta vs tors. theta energy: -15.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -154.720606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.720606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.720606 (E_RNA) where: Base-Base interactions energy: -98.235 where: short stacking energy: -56.682 Base-Backbone interact. energy: -0.000 local terms energy: -56.485087 where: bonds (distance) C4'-P energy: -13.212 bonds (distance) P-C4' energy: -13.952 flat angles C4'-P-C4' energy: -8.938 flat angles P-C4'-P energy: -9.466 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: 3, replica: 3 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -140.720030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.720030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.720030 (E_RNA) where: Base-Base interactions energy: -83.719 where: short stacking energy: -55.666 Base-Backbone interact. energy: -0.015 local terms energy: -56.985602 where: bonds (distance) C4'-P energy: -10.480 bonds (distance) P-C4' energy: -12.162 flat angles C4'-P-C4' energy: -14.233 flat angles P-C4'-P energy: -8.387 tors. eta vs tors. theta energy: -11.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -132.019325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.019325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.019325 (E_RNA) where: Base-Base interactions energy: -83.848 where: short stacking energy: -49.314 Base-Backbone interact. energy: -0.183 local terms energy: -47.988068 where: bonds (distance) C4'-P energy: -11.204 bonds (distance) P-C4' energy: -14.124 flat angles C4'-P-C4' energy: -10.130 flat angles P-C4'-P energy: -7.701 tors. eta vs tors. theta energy: -4.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -141.689482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.689482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.689482 (E_RNA) where: Base-Base interactions energy: -82.942 where: short stacking energy: -49.874 Base-Backbone interact. energy: 0.175 local terms energy: -58.923116 where: bonds (distance) C4'-P energy: -11.097 bonds (distance) P-C4' energy: -13.752 flat angles C4'-P-C4' energy: -15.401 flat angles P-C4'-P energy: -9.702 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: 6, replica: 10 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -90.246714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.246714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.246714 (E_RNA) where: Base-Base interactions energy: -42.766 where: short stacking energy: -29.326 Base-Backbone interact. energy: -0.059 local terms energy: -47.421752 where: bonds (distance) C4'-P energy: -11.867 bonds (distance) P-C4' energy: -15.256 flat angles C4'-P-C4' energy: -12.750 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -3.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -79.738584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.738584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.738584 (E_RNA) where: Base-Base interactions energy: -32.819 where: short stacking energy: -32.819 Base-Backbone interact. energy: -0.067 local terms energy: -46.852856 where: bonds (distance) C4'-P energy: -9.644 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -11.056 flat angles P-C4'-P energy: -6.003 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: 8, replica: 8 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -80.488053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.488053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.488053 (E_RNA) where: Base-Base interactions energy: -42.686 where: short stacking energy: -34.645 Base-Backbone interact. energy: 0.185 local terms energy: -37.986732 where: bonds (distance) C4'-P energy: -11.952 bonds (distance) P-C4' energy: -11.366 flat angles C4'-P-C4' energy: -8.766 flat angles P-C4'-P energy: -5.751 tors. eta vs tors. theta energy: -0.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -82.941508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.941508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.941508 (E_RNA) where: Base-Base interactions energy: -32.738 where: short stacking energy: -32.738 Base-Backbone interact. energy: -0.096 local terms energy: -50.107947 where: bonds (distance) C4'-P energy: -10.633 bonds (distance) P-C4' energy: -14.952 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -10.161 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: 10, replica: 9 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -71.716760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.716760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.716760 (E_RNA) where: Base-Base interactions energy: -29.081 where: short stacking energy: -29.081 Base-Backbone interact. energy: -0.037 local terms energy: -42.598907 where: bonds (distance) C4'-P energy: -8.886 bonds (distance) P-C4' energy: -9.576 flat angles C4'-P-C4' energy: -13.228 flat angles P-C4'-P energy: -7.029 tors. eta vs tors. theta energy: -3.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -162.410492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.410492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.410492 (E_RNA) where: Base-Base interactions energy: -99.787 where: short stacking energy: -53.972 Base-Backbone interact. energy: -0.004 local terms energy: -62.618982 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -12.552 flat angles P-C4'-P energy: -10.749 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: 2, replica: 4 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -142.165438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.165438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.165438 (E_RNA) where: Base-Base interactions energy: -79.595 where: short stacking energy: -51.243 Base-Backbone interact. energy: -0.096 local terms energy: -62.474315 where: bonds (distance) C4'-P energy: -12.062 bonds (distance) P-C4' energy: -14.318 flat angles C4'-P-C4' energy: -14.221 flat angles P-C4'-P energy: -10.564 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: 3, replica: 7 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -148.544758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.544758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.544758 (E_RNA) where: Base-Base interactions energy: -92.340 where: short stacking energy: -61.101 Base-Backbone interact. energy: -1.125 local terms energy: -55.079176 where: bonds (distance) C4'-P energy: -7.569 bonds (distance) P-C4' energy: -12.442 flat angles C4'-P-C4' energy: -10.998 flat angles P-C4'-P energy: -9.161 tors. eta vs tors. theta energy: -14.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -139.424230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.424230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.424230 (E_RNA) where: Base-Base interactions energy: -81.508 where: short stacking energy: -53.002 Base-Backbone interact. energy: -0.968 local terms energy: -56.949129 where: bonds (distance) C4'-P energy: -11.432 bonds (distance) P-C4' energy: -12.597 flat angles C4'-P-C4' energy: -12.715 flat angles P-C4'-P energy: -5.914 tors. eta vs tors. theta energy: -14.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -137.310803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.310803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.310803 (E_RNA) where: Base-Base interactions energy: -80.331 where: short stacking energy: -53.312 Base-Backbone interact. energy: -0.024 local terms energy: -56.955786 where: bonds (distance) C4'-P energy: -11.377 bonds (distance) P-C4' energy: -11.763 flat angles C4'-P-C4' energy: -13.495 flat angles P-C4'-P energy: -8.913 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: 6, replica: 10 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -86.775405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.775405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.775405 (E_RNA) where: Base-Base interactions energy: -38.519 where: short stacking energy: -38.519 Base-Backbone interact. energy: -0.124 local terms energy: -48.132619 where: bonds (distance) C4'-P energy: -9.235 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -13.007 flat angles P-C4'-P energy: -6.861 tors. eta vs tors. theta energy: -3.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -83.188642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.188642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.188642 (E_RNA) where: Base-Base interactions energy: -37.596 where: short stacking energy: -35.336 Base-Backbone interact. energy: -0.075 local terms energy: -45.516912 where: bonds (distance) C4'-P energy: -8.534 bonds (distance) P-C4' energy: -14.614 flat angles C4'-P-C4' energy: -11.547 flat angles P-C4'-P energy: -5.662 tors. eta vs tors. theta energy: -5.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -81.718312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.718312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.718312 (E_RNA) where: Base-Base interactions energy: -32.240 where: short stacking energy: -32.240 Base-Backbone interact. energy: -0.000 local terms energy: -49.478258 where: bonds (distance) C4'-P energy: -8.224 bonds (distance) P-C4' energy: -14.819 flat angles C4'-P-C4' energy: -11.144 flat angles P-C4'-P energy: -8.586 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: 9 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -82.354382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.354382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.354382 (E_RNA) where: Base-Base interactions energy: -37.428 where: short stacking energy: -37.428 Base-Backbone interact. energy: -0.120 local terms energy: -44.806496 where: bonds (distance) C4'-P energy: -7.603 bonds (distance) P-C4' energy: -9.316 flat angles C4'-P-C4' energy: -9.466 flat angles P-C4'-P energy: -11.259 tors. eta vs tors. theta energy: -7.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -84.564272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.564272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.564272 (E_RNA) where: Base-Base interactions energy: -44.707 where: short stacking energy: -33.559 Base-Backbone interact. energy: -0.065 local terms energy: -39.792134 where: bonds (distance) C4'-P energy: -9.209 bonds (distance) P-C4' energy: -12.373 flat angles C4'-P-C4' energy: -12.216 flat angles P-C4'-P energy: -4.978 tors. eta vs tors. theta energy: -1.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -162.607754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.607754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.607754 (E_RNA) where: Base-Base interactions energy: -95.332 where: short stacking energy: -60.142 Base-Backbone interact. energy: -0.062 local terms energy: -67.213955 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -11.620 flat angles P-C4'-P energy: -11.811 tors. eta vs tors. theta energy: -14.120 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: 7 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -147.658052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.658052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.658052 (E_RNA) where: Base-Base interactions energy: -90.525 where: short stacking energy: -51.948 Base-Backbone interact. energy: -0.022 local terms energy: -57.111410 where: bonds (distance) C4'-P energy: -12.873 bonds (distance) P-C4' energy: -14.696 flat angles C4'-P-C4' energy: -10.903 flat angles P-C4'-P energy: -9.793 tors. eta vs tors. theta energy: -8.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -150.914113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.914113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.914113 (E_RNA) where: Base-Base interactions energy: -93.113 where: short stacking energy: -47.060 Base-Backbone interact. energy: -0.013 local terms energy: -57.788322 where: bonds (distance) C4'-P energy: -11.680 bonds (distance) P-C4' energy: -11.228 flat angles C4'-P-C4' energy: -13.531 flat angles P-C4'-P energy: -11.063 tors. eta vs tors. theta energy: -10.285 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: 207 Temperature: 1.050000 Total energy: -145.674705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.674705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.674705 (E_RNA) where: Base-Base interactions energy: -91.047 where: short stacking energy: -53.621 Base-Backbone interact. energy: -0.031 local terms energy: -54.597071 where: bonds (distance) C4'-P energy: -13.953 bonds (distance) P-C4' energy: -11.179 flat angles C4'-P-C4' energy: -11.316 flat angles P-C4'-P energy: -8.143 tors. eta vs tors. theta energy: -10.006 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: 5, replica: 3 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -126.077004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.077004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.077004 (E_RNA) where: Base-Base interactions energy: -76.113 where: short stacking energy: -51.014 Base-Backbone interact. energy: -0.055 local terms energy: -49.908854 where: bonds (distance) C4'-P energy: -9.363 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -12.677 flat angles P-C4'-P energy: -4.713 tors. eta vs tors. theta energy: -9.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -96.809016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.809016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.809016 (E_RNA) where: Base-Base interactions energy: -44.016 where: short stacking energy: -44.016 Base-Backbone interact. energy: -0.005 local terms energy: -52.787471 where: bonds (distance) C4'-P energy: -9.925 bonds (distance) P-C4' energy: -12.652 flat angles C4'-P-C4' energy: -13.714 flat angles P-C4'-P energy: -7.268 tors. eta vs tors. theta energy: -9.229 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: 10 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -84.406961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.406961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.406961 (E_RNA) where: Base-Base interactions energy: -30.334 where: short stacking energy: -29.223 Base-Backbone interact. energy: -0.087 local terms energy: -53.986248 where: bonds (distance) C4'-P energy: -13.742 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -12.834 flat angles P-C4'-P energy: -7.556 tors. eta vs tors. theta energy: -6.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -86.517705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.517705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.517705 (E_RNA) where: Base-Base interactions energy: -38.725 where: short stacking energy: -37.339 Base-Backbone interact. energy: -0.014 local terms energy: -47.778424 where: bonds (distance) C4'-P energy: -13.498 bonds (distance) P-C4' energy: -11.699 flat angles C4'-P-C4' energy: -9.082 flat angles P-C4'-P energy: -8.417 tors. eta vs tors. theta energy: -5.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -80.149315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.149315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.149315 (E_RNA) where: Base-Base interactions energy: -32.140 where: short stacking energy: -20.395 Base-Backbone interact. energy: -0.178 local terms energy: -47.830927 where: bonds (distance) C4'-P energy: -11.361 bonds (distance) P-C4' energy: -14.988 flat angles C4'-P-C4' energy: -13.268 flat angles P-C4'-P energy: -7.862 tors. eta vs tors. theta energy: -0.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -85.396612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.396612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.396612 (E_RNA) where: Base-Base interactions energy: -36.264 where: short stacking energy: -34.139 Base-Backbone interact. energy: -0.019 local terms energy: -49.113560 where: bonds (distance) C4'-P energy: -14.343 bonds (distance) P-C4' energy: -13.931 flat angles C4'-P-C4' energy: -8.870 flat angles P-C4'-P energy: -7.507 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: 1, replica: 7 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -157.829611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.829611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.829611 (E_RNA) where: Base-Base interactions energy: -99.138 where: short stacking energy: -59.302 Base-Backbone interact. energy: -0.085 local terms energy: -58.606399 where: bonds (distance) C4'-P energy: -12.161 bonds (distance) P-C4' energy: -15.068 flat angles C4'-P-C4' energy: -13.452 flat angles P-C4'-P energy: -8.460 tors. eta vs tors. theta energy: -9.465 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: 208 Temperature: 0.950000 Total energy: -159.417079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.417079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.417079 (E_RNA) where: Base-Base interactions energy: -96.996 where: short stacking energy: -58.068 Base-Backbone interact. energy: -0.015 local terms energy: -62.406738 where: bonds (distance) C4'-P energy: -13.000 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -12.441 flat angles P-C4'-P energy: -9.052 tors. eta vs tors. theta energy: -14.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -143.308596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.308596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.308596 (E_RNA) where: Base-Base interactions energy: -80.439 where: short stacking energy: -50.057 Base-Backbone interact. energy: -0.032 local terms energy: -62.837584 where: bonds (distance) C4'-P energy: -11.660 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -11.318 flat angles P-C4'-P energy: -8.908 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: 4, replica: 4 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -142.217024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.217024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.217024 (E_RNA) where: Base-Base interactions energy: -82.915 where: short stacking energy: -55.576 Base-Backbone interact. energy: -0.836 local terms energy: -58.465961 where: bonds (distance) C4'-P energy: -12.438 bonds (distance) P-C4' energy: -13.375 flat angles C4'-P-C4' energy: -13.273 flat angles P-C4'-P energy: -6.183 tors. eta vs tors. theta energy: -13.197 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: 3 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -134.828870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.828870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.828870 (E_RNA) where: Base-Base interactions energy: -79.409 where: short stacking energy: -47.234 Base-Backbone interact. energy: 1.372 local terms energy: -56.791321 where: bonds (distance) C4'-P energy: -10.547 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -10.420 flat angles P-C4'-P energy: -12.010 tors. eta vs tors. theta energy: -10.503 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: 1 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -95.084376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.084376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.084376 (E_RNA) where: Base-Base interactions energy: -47.279 where: short stacking energy: -43.456 Base-Backbone interact. energy: -0.186 local terms energy: -47.619592 where: bonds (distance) C4'-P energy: -10.417 bonds (distance) P-C4' energy: -10.697 flat angles C4'-P-C4' energy: -10.601 flat angles P-C4'-P energy: -8.257 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: 7, replica: 9 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -93.545690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.545690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.545690 (E_RNA) where: Base-Base interactions energy: -44.225 where: short stacking energy: -43.985 Base-Backbone interact. energy: -0.110 local terms energy: -49.210186 where: bonds (distance) C4'-P energy: -10.116 bonds (distance) P-C4' energy: -12.616 flat angles C4'-P-C4' energy: -11.265 flat angles P-C4'-P energy: -7.661 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: 8, replica: 10 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -87.338627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.338627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.338627 (E_RNA) where: Base-Base interactions energy: -37.626 where: short stacking energy: -37.626 Base-Backbone interact. energy: -0.497 local terms energy: -49.215547 where: bonds (distance) C4'-P energy: -9.474 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -11.390 flat angles P-C4'-P energy: -6.631 tors. eta vs tors. theta energy: -7.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -92.320976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.320976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.320976 (E_RNA) where: Base-Base interactions energy: -51.116 where: short stacking energy: -40.116 Base-Backbone interact. energy: -0.214 local terms energy: -40.991736 where: bonds (distance) C4'-P energy: -13.518 bonds (distance) P-C4' energy: -11.705 flat angles C4'-P-C4' energy: -8.452 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -2.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -74.974290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.974290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.974290 (E_RNA) where: Base-Base interactions energy: -35.358 where: short stacking energy: -35.358 Base-Backbone interact. energy: -0.162 local terms energy: -39.454211 where: bonds (distance) C4'-P energy: -12.152 bonds (distance) P-C4' energy: -10.597 flat angles C4'-P-C4' energy: -7.821 flat angles P-C4'-P energy: -9.687 tors. eta vs tors. theta energy: 0.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -158.372483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.372483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.372483 (E_RNA) where: Base-Base interactions energy: -91.716 where: short stacking energy: -57.939 Base-Backbone interact. energy: -0.010 local terms energy: -66.646478 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -13.917 flat angles P-C4'-P energy: -12.148 tors. eta vs tors. theta energy: -12.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -153.186647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.186647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.186647 (E_RNA) where: Base-Base interactions energy: -85.803 where: short stacking energy: -59.357 Base-Backbone interact. energy: -0.114 local terms energy: -67.269915 where: bonds (distance) C4'-P energy: -13.900 bonds (distance) P-C4' energy: -14.697 flat angles C4'-P-C4' energy: -14.933 flat angles P-C4'-P energy: -10.212 tors. eta vs tors. theta energy: -13.528 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: 3, replica: 5 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -127.967804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.967804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.967804 (E_RNA) where: Base-Base interactions energy: -74.484 where: short stacking energy: -38.767 Base-Backbone interact. energy: -0.018 local terms energy: -53.465865 where: bonds (distance) C4'-P energy: -13.481 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -10.643 flat angles P-C4'-P energy: -7.623 tors. eta vs tors. theta energy: -8.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -142.940582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.940582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.940582 (E_RNA) where: Base-Base interactions energy: -83.988 where: short stacking energy: -55.236 Base-Backbone interact. energy: -0.013 local terms energy: -58.939933 where: bonds (distance) C4'-P energy: -12.678 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -10.663 flat angles P-C4'-P energy: -7.533 tors. eta vs tors. theta energy: -12.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -128.374237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.374237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.374237 (E_RNA) where: Base-Base interactions energy: -69.138 where: short stacking energy: -41.806 Base-Backbone interact. energy: -0.033 local terms energy: -59.202886 where: bonds (distance) C4'-P energy: -11.697 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -12.935 flat angles P-C4'-P energy: -6.016 tors. eta vs tors. theta energy: -13.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -96.236105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.236105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.236105 (E_RNA) where: Base-Base interactions energy: -44.766 where: short stacking energy: -38.989 Base-Backbone interact. energy: -0.095 local terms energy: -51.375282 where: bonds (distance) C4'-P energy: -12.939 bonds (distance) P-C4' energy: -11.345 flat angles C4'-P-C4' energy: -13.795 flat angles P-C4'-P energy: -5.959 tors. eta vs tors. theta energy: -7.337 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: 9 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -87.815480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.815480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.815480 (E_RNA) where: Base-Base interactions energy: -42.763 where: short stacking energy: -42.763 Base-Backbone interact. energy: -0.080 local terms energy: -44.972390 where: bonds (distance) C4'-P energy: -13.164 bonds (distance) P-C4' energy: -9.755 flat angles C4'-P-C4' energy: -11.104 flat angles P-C4'-P energy: -3.805 tors. eta vs tors. theta energy: -7.146 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: 2 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -83.161393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.161393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.161393 (E_RNA) where: Base-Base interactions energy: -35.230 where: short stacking energy: -27.487 Base-Backbone interact. energy: -0.242 local terms energy: -47.689430 where: bonds (distance) C4'-P energy: -13.990 bonds (distance) P-C4' energy: -13.489 flat angles C4'-P-C4' energy: -13.643 flat angles P-C4'-P energy: -6.369 tors. eta vs tors. theta energy: -0.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -84.803613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.803613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.803613 (E_RNA) where: Base-Base interactions energy: -38.186 where: short stacking energy: -37.979 Base-Backbone interact. energy: -0.530 local terms energy: -46.086957 where: bonds (distance) C4'-P energy: -11.866 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -11.471 flat angles P-C4'-P energy: -3.131 tors. eta vs tors. theta energy: -4.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -72.274255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.274255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.274255 (E_RNA) where: Base-Base interactions energy: -29.257 where: short stacking energy: -29.257 Base-Backbone interact. energy: -0.067 local terms energy: -42.951176 where: bonds (distance) C4'-P energy: -11.908 bonds (distance) P-C4' energy: -12.881 flat angles C4'-P-C4' energy: -9.737 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: -4.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -167.779251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.779251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.779251 (E_RNA) where: Base-Base interactions energy: -101.945 where: short stacking energy: -66.004 Base-Backbone interact. energy: -0.615 local terms energy: -65.218779 where: bonds (distance) C4'-P energy: -9.193 bonds (distance) P-C4' energy: -15.802 flat angles C4'-P-C4' energy: -12.539 flat angles P-C4'-P energy: -11.737 tors. eta vs tors. theta energy: -15.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -139.371270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.371270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.371270 (E_RNA) where: Base-Base interactions energy: -83.910 where: short stacking energy: -43.355 Base-Backbone interact. energy: -0.223 local terms energy: -55.238489 where: bonds (distance) C4'-P energy: -9.202 bonds (distance) P-C4' energy: -13.392 flat angles C4'-P-C4' energy: -12.567 flat angles P-C4'-P energy: -7.862 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: 3, replica: 3 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -142.805376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.805376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.805376 (E_RNA) where: Base-Base interactions energy: -83.131 where: short stacking energy: -55.704 Base-Backbone interact. energy: -0.049 local terms energy: -59.624966 where: bonds (distance) C4'-P energy: -12.106 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -14.337 flat angles P-C4'-P energy: -11.054 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: 4, replica: 5 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -147.991985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.991985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.991985 (E_RNA) where: Base-Base interactions energy: -93.214 where: short stacking energy: -61.375 Base-Backbone interact. energy: -0.210 local terms energy: -54.567985 where: bonds (distance) C4'-P energy: -9.183 bonds (distance) P-C4' energy: -13.452 flat angles C4'-P-C4' energy: -13.146 flat angles P-C4'-P energy: -5.180 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: 4 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -127.659143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.659143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.659143 (E_RNA) where: Base-Base interactions energy: -72.682 where: short stacking energy: -50.725 Base-Backbone interact. energy: -0.085 local terms energy: -54.892865 where: bonds (distance) C4'-P energy: -11.536 bonds (distance) P-C4' energy: -12.001 flat angles C4'-P-C4' energy: -13.915 flat angles P-C4'-P energy: -9.830 tors. eta vs tors. theta energy: -7.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -98.748495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.748495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.748495 (E_RNA) where: Base-Base interactions energy: -44.976 where: short stacking energy: -44.976 Base-Backbone interact. energy: -0.004 local terms energy: -53.768520 where: bonds (distance) C4'-P energy: -11.600 bonds (distance) P-C4' energy: -13.510 flat angles C4'-P-C4' energy: -10.041 flat angles P-C4'-P energy: -8.522 tors. eta vs tors. theta energy: -10.095 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: 2 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -89.220208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.220208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.220208 (E_RNA) where: Base-Base interactions energy: -47.803 where: short stacking energy: -36.406 Base-Backbone interact. energy: 0.244 local terms energy: -41.661963 where: bonds (distance) C4'-P energy: -9.023 bonds (distance) P-C4' energy: -9.905 flat angles C4'-P-C4' energy: -13.532 flat angles P-C4'-P energy: -7.051 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: 8, replica: 9 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -95.441411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.441411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.441411 (E_RNA) where: Base-Base interactions energy: -41.587 where: short stacking energy: -41.509 Base-Backbone interact. energy: -0.078 local terms energy: -53.776277 where: bonds (distance) C4'-P energy: -9.705 bonds (distance) P-C4' energy: -13.265 flat angles C4'-P-C4' energy: -13.904 flat angles P-C4'-P energy: -10.572 tors. eta vs tors. theta energy: -6.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -78.570989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.570989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.570989 (E_RNA) where: Base-Base interactions energy: -32.835 where: short stacking energy: -32.616 Base-Backbone interact. energy: -0.117 local terms energy: -45.619152 where: bonds (distance) C4'-P energy: -13.689 bonds (distance) P-C4' energy: -10.583 flat angles C4'-P-C4' energy: -10.396 flat angles P-C4'-P energy: -7.176 tors. eta vs tors. theta energy: -3.775 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: 10, replica: 10 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -76.686164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.686164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.686164 (E_RNA) where: Base-Base interactions energy: -32.545 where: short stacking energy: -32.545 Base-Backbone interact. energy: -0.001 local terms energy: -44.140811 where: bonds (distance) C4'-P energy: -13.125 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -3.165 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: -7.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -156.659987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.659987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.659987 (E_RNA) where: Base-Base interactions energy: -99.441 where: short stacking energy: -60.332 Base-Backbone interact. energy: -0.272 local terms energy: -56.946716 where: bonds (distance) C4'-P energy: -10.008 bonds (distance) P-C4' energy: -12.408 flat angles C4'-P-C4' energy: -13.192 flat angles P-C4'-P energy: -7.885 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: 7 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -146.881172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.881172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.881172 (E_RNA) where: Base-Base interactions energy: -93.454 where: short stacking energy: -61.261 Base-Backbone interact. energy: -0.113 local terms energy: -53.313635 where: bonds (distance) C4'-P energy: -10.736 bonds (distance) P-C4' energy: -11.526 flat angles C4'-P-C4' energy: -11.163 flat angles P-C4'-P energy: -7.807 tors. eta vs tors. theta energy: -12.082 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: 3 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -134.589648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.589648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.589648 (E_RNA) where: Base-Base interactions energy: -80.018 where: short stacking energy: -56.938 Base-Backbone interact. energy: -0.475 local terms energy: -54.096603 where: bonds (distance) C4'-P energy: -13.464 bonds (distance) P-C4' energy: -11.718 flat angles C4'-P-C4' energy: -13.989 flat angles P-C4'-P energy: -7.545 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: 4, replica: 5 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -153.126761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.126761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.126761 (E_RNA) where: Base-Base interactions energy: -92.882 where: short stacking energy: -60.052 Base-Backbone interact. energy: -0.300 local terms energy: -59.944926 where: bonds (distance) C4'-P energy: -8.973 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -11.595 flat angles P-C4'-P energy: -6.254 tors. eta vs tors. theta energy: -17.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -134.717608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.717608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.717608 (E_RNA) where: Base-Base interactions energy: -81.305 where: short stacking energy: -51.022 Base-Backbone interact. energy: -0.268 local terms energy: -53.143817 where: bonds (distance) C4'-P energy: -12.363 bonds (distance) P-C4' energy: -11.992 flat angles C4'-P-C4' energy: -13.891 flat angles P-C4'-P energy: -9.845 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: 6, replica: 2 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -110.087067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.087067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.087067 (E_RNA) where: Base-Base interactions energy: -56.406 where: short stacking energy: -56.406 Base-Backbone interact. energy: -0.003 local terms energy: -53.678570 where: bonds (distance) C4'-P energy: -9.488 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -10.962 flat angles P-C4'-P energy: -9.050 tors. eta vs tors. theta energy: -10.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -108.476713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.476713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.476713 (E_RNA) where: Base-Base interactions energy: -58.711 where: short stacking energy: -53.270 Base-Backbone interact. energy: -0.025 local terms energy: -49.740399 where: bonds (distance) C4'-P energy: -8.359 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -9.027 flat angles P-C4'-P energy: -6.988 tors. eta vs tors. theta energy: -11.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -84.484008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.484008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.484008 (E_RNA) where: Base-Base interactions energy: -33.845 where: short stacking energy: -30.211 Base-Backbone interact. energy: -0.005 local terms energy: -50.634351 where: bonds (distance) C4'-P energy: -6.990 bonds (distance) P-C4' energy: -15.547 flat angles C4'-P-C4' energy: -10.683 flat angles P-C4'-P energy: -9.698 tors. eta vs tors. theta energy: -7.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -82.538667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.538667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.538667 (E_RNA) where: Base-Base interactions energy: -39.469 where: short stacking energy: -34.729 Base-Backbone interact. energy: -0.229 local terms energy: -42.840277 where: bonds (distance) C4'-P energy: -4.608 bonds (distance) P-C4' energy: -10.641 flat angles C4'-P-C4' energy: -13.537 flat angles P-C4'-P energy: -8.075 tors. eta vs tors. theta energy: -5.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -74.719610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.719610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.719610 (E_RNA) where: Base-Base interactions energy: -32.511 where: short stacking energy: -32.511 Base-Backbone interact. energy: 1.656 local terms energy: -43.863924 where: bonds (distance) C4'-P energy: -10.174 bonds (distance) P-C4' energy: -4.352 flat angles C4'-P-C4' energy: -13.483 flat angles P-C4'-P energy: -8.624 tors. eta vs tors. theta energy: -7.230 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: 1, replica: 6 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -153.197749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.197749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.197749 (E_RNA) where: Base-Base interactions energy: -96.348 where: short stacking energy: -56.932 Base-Backbone interact. energy: -0.421 local terms energy: -56.428732 where: bonds (distance) C4'-P energy: -12.264 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -13.944 flat angles P-C4'-P energy: -4.296 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: 2, replica: 7 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -144.259317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.259317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.259317 (E_RNA) where: Base-Base interactions energy: -84.137 where: short stacking energy: -54.634 Base-Backbone interact. energy: -0.423 local terms energy: -59.699137 where: bonds (distance) C4'-P energy: -11.725 bonds (distance) P-C4' energy: -14.269 flat angles C4'-P-C4' energy: -9.343 flat angles P-C4'-P energy: -13.481 tors. eta vs tors. theta energy: -10.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -135.509791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.509791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.509791 (E_RNA) where: Base-Base interactions energy: -79.492 where: short stacking energy: -45.996 Base-Backbone interact. energy: -0.211 local terms energy: -55.807416 where: bonds (distance) C4'-P energy: -13.420 bonds (distance) P-C4' energy: -11.910 flat angles C4'-P-C4' energy: -14.144 flat angles P-C4'-P energy: -4.644 tors. eta vs tors. theta energy: -11.690 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: 3 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -140.986821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.986821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.986821 (E_RNA) where: Base-Base interactions energy: -83.531 where: short stacking energy: -51.334 Base-Backbone interact. energy: -0.377 local terms energy: -57.078622 where: bonds (distance) C4'-P energy: -12.612 bonds (distance) P-C4' energy: -11.961 flat angles C4'-P-C4' energy: -9.857 flat angles P-C4'-P energy: -9.997 tors. eta vs tors. theta energy: -12.651 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: 5, replica: 4 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -138.694306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.694306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.694306 (E_RNA) where: Base-Base interactions energy: -80.614 where: short stacking energy: -48.551 Base-Backbone interact. energy: -0.006 local terms energy: -58.074737 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -12.245 flat angles P-C4'-P energy: -9.689 tors. eta vs tors. theta energy: -9.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -92.714106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.714106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.714106 (E_RNA) where: Base-Base interactions energy: -49.071 where: short stacking energy: -45.876 Base-Backbone interact. energy: 0.178 local terms energy: -43.821120 where: bonds (distance) C4'-P energy: -12.765 bonds (distance) P-C4' energy: -12.249 flat angles C4'-P-C4' energy: -10.560 flat angles P-C4'-P energy: -6.749 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: 7, replica: 9 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -93.664720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.664720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.664720 (E_RNA) where: Base-Base interactions energy: -48.645 where: short stacking energy: -48.645 Base-Backbone interact. energy: -0.073 local terms energy: -44.946451 where: bonds (distance) C4'-P energy: -11.192 bonds (distance) P-C4' energy: -9.083 flat angles C4'-P-C4' energy: -11.789 flat angles P-C4'-P energy: -2.036 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: 8, replica: 1 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -79.031460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.031460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.031460 (E_RNA) where: Base-Base interactions energy: -33.001 where: short stacking energy: -26.715 Base-Backbone interact. energy: -0.168 local terms energy: -45.861730 where: bonds (distance) C4'-P energy: -13.208 bonds (distance) P-C4' energy: -12.416 flat angles C4'-P-C4' energy: -10.989 flat angles P-C4'-P energy: -4.029 tors. eta vs tors. theta energy: -5.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -75.804144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.804144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.804144 (E_RNA) where: Base-Base interactions energy: -32.882 where: short stacking energy: -32.882 Base-Backbone interact. energy: -0.128 local terms energy: -42.794584 where: bonds (distance) C4'-P energy: -12.215 bonds (distance) P-C4' energy: -12.313 flat angles C4'-P-C4' energy: -4.947 flat angles P-C4'-P energy: -11.789 tors. eta vs tors. theta energy: -1.530 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: 10 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -84.337227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.337227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.337227 (E_RNA) where: Base-Base interactions energy: -40.730 where: short stacking energy: -34.230 Base-Backbone interact. energy: -0.063 local terms energy: -43.543738 where: bonds (distance) C4'-P energy: -10.525 bonds (distance) P-C4' energy: -11.362 flat angles C4'-P-C4' energy: -11.172 flat angles P-C4'-P energy: -5.340 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: 1, replica: 6 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -161.972107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.972107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.972107 (E_RNA) where: Base-Base interactions energy: -101.430 where: short stacking energy: -63.473 Base-Backbone interact. energy: -0.717 local terms energy: -59.825116 where: bonds (distance) C4'-P energy: -10.421 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -11.972 flat angles P-C4'-P energy: -9.252 tors. eta vs tors. theta energy: -15.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -150.802342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.802342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.802342 (E_RNA) where: Base-Base interactions energy: -89.844 where: short stacking energy: -53.210 Base-Backbone interact. energy: -0.090 local terms energy: -60.868539 where: bonds (distance) C4'-P energy: -14.500 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -15.234 flat angles P-C4'-P energy: -8.458 tors. eta vs tors. theta energy: -7.611 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: 5 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -140.972651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.972651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.972651 (E_RNA) where: Base-Base interactions energy: -83.361 where: short stacking energy: -45.015 Base-Backbone interact. energy: -0.610 local terms energy: -57.001555 where: bonds (distance) C4'-P energy: -10.863 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -10.606 flat angles P-C4'-P energy: -10.126 tors. eta vs tors. theta energy: -12.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -136.692504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.692504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.692504 (E_RNA) where: Base-Base interactions energy: -81.208 where: short stacking energy: -48.470 Base-Backbone interact. energy: 0.839 local terms energy: -56.323630 where: bonds (distance) C4'-P energy: -13.511 bonds (distance) P-C4' energy: -13.419 flat angles C4'-P-C4' energy: -11.532 flat angles P-C4'-P energy: -9.255 tors. eta vs tors. theta energy: -8.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -146.543429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.543429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.543429 (E_RNA) where: Base-Base interactions energy: -85.762 where: short stacking energy: -58.264 Base-Backbone interact. energy: -0.144 local terms energy: -60.637854 where: bonds (distance) C4'-P energy: -13.626 bonds (distance) P-C4' energy: -14.745 flat angles C4'-P-C4' energy: -12.024 flat angles P-C4'-P energy: -8.720 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: 6, replica: 9 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -104.587779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.587779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.587779 (E_RNA) where: Base-Base interactions energy: -52.330 where: short stacking energy: -52.330 Base-Backbone interact. energy: -0.106 local terms energy: -52.152158 where: bonds (distance) C4'-P energy: -9.707 bonds (distance) P-C4' energy: -13.796 flat angles C4'-P-C4' energy: -14.132 flat angles P-C4'-P energy: -5.425 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: 7, replica: 2 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -76.407254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.407254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.407254 (E_RNA) where: Base-Base interactions energy: -31.059 where: short stacking energy: -26.239 Base-Backbone interact. energy: -0.216 local terms energy: -45.131459 where: bonds (distance) C4'-P energy: -8.819 bonds (distance) P-C4' energy: -14.604 flat angles C4'-P-C4' energy: -10.767 flat angles P-C4'-P energy: -8.893 tors. eta vs tors. theta energy: -2.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -88.273756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.273756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.273756 (E_RNA) where: Base-Base interactions energy: -40.592 where: short stacking energy: -40.592 Base-Backbone interact. energy: -0.030 local terms energy: -47.652045 where: bonds (distance) C4'-P energy: -12.530 bonds (distance) P-C4' energy: -11.849 flat angles C4'-P-C4' energy: -10.744 flat angles P-C4'-P energy: -7.417 tors. eta vs tors. theta energy: -5.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -78.460395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.460395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.460395 (E_RNA) where: Base-Base interactions energy: -32.018 where: short stacking energy: -27.243 Base-Backbone interact. energy: -0.060 local terms energy: -46.382754 where: bonds (distance) C4'-P energy: -12.852 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -8.714 flat angles P-C4'-P energy: -9.083 tors. eta vs tors. theta energy: -1.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -87.184971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.184971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.184971 (E_RNA) where: Base-Base interactions energy: -39.398 where: short stacking energy: -37.821 Base-Backbone interact. energy: -0.106 local terms energy: -47.681316 where: bonds (distance) C4'-P energy: -10.189 bonds (distance) P-C4' energy: -13.669 flat angles C4'-P-C4' energy: -7.816 flat angles P-C4'-P energy: -5.969 tors. eta vs tors. theta energy: -10.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -150.660431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.660431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.660431 (E_RNA) where: Base-Base interactions energy: -90.582 where: short stacking energy: -52.516 Base-Backbone interact. energy: -0.025 local terms energy: -60.053271 where: bonds (distance) C4'-P energy: -12.311 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -12.258 flat angles P-C4'-P energy: -8.483 tors. eta vs tors. theta energy: -11.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -158.220338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.220338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.220338 (E_RNA) where: Base-Base interactions energy: -98.549 where: short stacking energy: -62.931 Base-Backbone interact. energy: -0.505 local terms energy: -59.166383 where: bonds (distance) C4'-P energy: -14.681 bonds (distance) P-C4' energy: -13.109 flat angles C4'-P-C4' energy: -12.770 flat angles P-C4'-P energy: -8.217 tors. eta vs tors. theta energy: -10.389 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: 3, replica: 4 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -141.260476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.260476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.260476 (E_RNA) where: Base-Base interactions energy: -80.737 where: short stacking energy: -48.310 Base-Backbone interact. energy: -0.089 local terms energy: -60.434316 where: bonds (distance) C4'-P energy: -11.581 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -11.284 flat angles P-C4'-P energy: -11.385 tors. eta vs tors. theta energy: -12.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -141.636132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.636132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.636132 (E_RNA) where: Base-Base interactions energy: -90.897 where: short stacking energy: -47.512 Base-Backbone interact. energy: -0.137 local terms energy: -50.602146 where: bonds (distance) C4'-P energy: -9.105 bonds (distance) P-C4' energy: -12.219 flat angles C4'-P-C4' energy: -11.430 flat angles P-C4'-P energy: -3.875 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: 9 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -107.912759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.912759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.912759 (E_RNA) where: Base-Base interactions energy: -46.217 where: short stacking energy: -43.822 Base-Backbone interact. energy: -0.168 local terms energy: -61.527798 where: bonds (distance) C4'-P energy: -14.003 bonds (distance) P-C4' energy: -13.045 flat angles C4'-P-C4' energy: -14.046 flat angles P-C4'-P energy: -10.149 tors. eta vs tors. theta energy: -10.285 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: 3 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -120.992002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.992002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.992002 (E_RNA) where: Base-Base interactions energy: -72.144 where: short stacking energy: -40.363 Base-Backbone interact. energy: -0.093 local terms energy: -48.754411 where: bonds (distance) C4'-P energy: -12.390 bonds (distance) P-C4' energy: -12.118 flat angles C4'-P-C4' energy: -10.564 flat angles P-C4'-P energy: -5.972 tors. eta vs tors. theta energy: -7.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -78.368198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.368198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.368198 (E_RNA) where: Base-Base interactions energy: -31.850 where: short stacking energy: -31.181 Base-Backbone interact. energy: -0.123 local terms energy: -46.394726 where: bonds (distance) C4'-P energy: -13.226 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -8.745 flat angles P-C4'-P energy: -8.759 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: 8, replica: 2 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -98.000599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.000599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.000599 (E_RNA) where: Base-Base interactions energy: -44.935 where: short stacking energy: -44.935 Base-Backbone interact. energy: -0.257 local terms energy: -52.808047 where: bonds (distance) C4'-P energy: -11.677 bonds (distance) P-C4' energy: -10.303 flat angles C4'-P-C4' energy: -12.625 flat angles P-C4'-P energy: -6.345 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: 9, replica: 10 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -75.049921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.049921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.049921 (E_RNA) where: Base-Base interactions energy: -32.151 where: short stacking energy: -31.078 Base-Backbone interact. energy: -0.030 local terms energy: -42.868972 where: bonds (distance) C4'-P energy: -12.965 bonds (distance) P-C4' energy: -9.828 flat angles C4'-P-C4' energy: -13.636 flat angles P-C4'-P energy: -3.163 tors. eta vs tors. theta energy: -3.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -79.114021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.114021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.114021 (E_RNA) where: Base-Base interactions energy: -37.354 where: short stacking energy: -31.128 Base-Backbone interact. energy: -0.251 local terms energy: -41.509157 where: bonds (distance) C4'-P energy: -9.409 bonds (distance) P-C4' energy: -13.081 flat angles C4'-P-C4' energy: -11.424 flat angles P-C4'-P energy: -8.899 tors. eta vs tors. theta energy: 1.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -140.822781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.822781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.822781 (E_RNA) where: Base-Base interactions energy: -85.383 where: short stacking energy: -47.983 Base-Backbone interact. energy: 0.444 local terms energy: -55.884334 where: bonds (distance) C4'-P energy: -12.903 bonds (distance) P-C4' energy: -15.992 flat angles C4'-P-C4' energy: -9.197 flat angles P-C4'-P energy: -8.072 tors. eta vs tors. theta energy: -9.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -150.668998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.668998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.668998 (E_RNA) where: Base-Base interactions energy: -93.090 where: short stacking energy: -52.007 Base-Backbone interact. energy: -1.454 local terms energy: -56.124151 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -11.437 flat angles P-C4'-P energy: -7.656 tors. eta vs tors. theta energy: -9.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -142.920621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.920621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.920621 (E_RNA) where: Base-Base interactions energy: -86.145 where: short stacking energy: -52.901 Base-Backbone interact. energy: -0.635 local terms energy: -56.140205 where: bonds (distance) C4'-P energy: -12.715 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -10.630 flat angles P-C4'-P energy: -8.545 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: 9 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -100.656263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.656263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.656263 (E_RNA) where: Base-Base interactions energy: -46.338 where: short stacking energy: -46.338 Base-Backbone interact. energy: -0.062 local terms energy: -54.256321 where: bonds (distance) C4'-P energy: -12.976 bonds (distance) P-C4' energy: -9.311 flat angles C4'-P-C4' energy: -15.531 flat angles P-C4'-P energy: -5.250 tors. eta vs tors. theta energy: -11.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -122.289363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.289363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.289363 (E_RNA) where: Base-Base interactions energy: -73.084 where: short stacking energy: -42.156 Base-Backbone interact. energy: -0.122 local terms energy: -49.083902 where: bonds (distance) C4'-P energy: -10.074 bonds (distance) P-C4' energy: -14.037 flat angles C4'-P-C4' energy: -11.944 flat angles P-C4'-P energy: -6.837 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: 6, replica: 3 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -126.248660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.248660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.248660 (E_RNA) where: Base-Base interactions energy: -74.470 where: short stacking energy: -43.370 Base-Backbone interact. energy: -0.053 local terms energy: -51.725749 where: bonds (distance) C4'-P energy: -11.532 bonds (distance) P-C4' energy: -12.287 flat angles C4'-P-C4' energy: -10.118 flat angles P-C4'-P energy: -9.119 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: 7, replica: 8 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -90.401354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.401354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.401354 (E_RNA) where: Base-Base interactions energy: -35.793 where: short stacking energy: -33.737 Base-Backbone interact. energy: -0.019 local terms energy: -54.589453 where: bonds (distance) C4'-P energy: -13.759 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -13.440 flat angles P-C4'-P energy: -6.099 tors. eta vs tors. theta energy: -9.101 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: 10 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -87.797120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.797120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.797120 (E_RNA) where: Base-Base interactions energy: -38.681 where: short stacking energy: -25.056 Base-Backbone interact. energy: 0.206 local terms energy: -49.322385 where: bonds (distance) C4'-P energy: -13.403 bonds (distance) P-C4' energy: -10.774 flat angles C4'-P-C4' energy: -14.187 flat angles P-C4'-P energy: -9.420 tors. eta vs tors. theta energy: -1.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -74.831914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.831914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.831914 (E_RNA) where: Base-Base interactions energy: -32.152 where: short stacking energy: -19.492 Base-Backbone interact. energy: -0.253 local terms energy: -42.426588 where: bonds (distance) C4'-P energy: -11.958 bonds (distance) P-C4' energy: -10.223 flat angles C4'-P-C4' energy: -14.410 flat angles P-C4'-P energy: -7.062 tors. eta vs tors. theta energy: 1.227 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: 1 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -68.614849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.614849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.614849 (E_RNA) where: Base-Base interactions energy: -32.800 where: short stacking energy: -31.817 Base-Backbone interact. energy: -0.070 local terms energy: -35.745276 where: bonds (distance) C4'-P energy: -10.235 bonds (distance) P-C4' energy: -12.612 flat angles C4'-P-C4' energy: -6.457 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -1.448 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: 1, replica: 7 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -167.167759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.167759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.167759 (E_RNA) where: Base-Base interactions energy: -101.705 where: short stacking energy: -68.923 Base-Backbone interact. energy: -0.026 local terms energy: -65.437021 where: bonds (distance) C4'-P energy: -14.316 bonds (distance) P-C4' energy: -12.752 flat angles C4'-P-C4' energy: -10.780 flat angles P-C4'-P energy: -10.472 tors. eta vs tors. theta energy: -17.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -150.981967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.981967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.981967 (E_RNA) where: Base-Base interactions energy: -90.597 where: short stacking energy: -45.353 Base-Backbone interact. energy: -0.165 local terms energy: -60.219810 where: bonds (distance) C4'-P energy: -14.636 bonds (distance) P-C4' energy: -11.655 flat angles C4'-P-C4' energy: -14.064 flat angles P-C4'-P energy: -10.257 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: 3, replica: 4 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -161.356153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.356153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.356153 (E_RNA) where: Base-Base interactions energy: -93.676 where: short stacking energy: -66.063 Base-Backbone interact. energy: -0.440 local terms energy: -67.240038 where: bonds (distance) C4'-P energy: -14.040 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -13.202 flat angles P-C4'-P energy: -10.336 tors. eta vs tors. theta energy: -15.690 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: 216 Temperature: 1.050000 Total energy: -118.821542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.821542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.821542 (E_RNA) where: Base-Base interactions energy: -52.768 where: short stacking energy: -52.768 Base-Backbone interact. energy: -0.003 local terms energy: -66.050103 where: bonds (distance) C4'-P energy: -12.906 bonds (distance) P-C4' energy: -13.750 flat angles C4'-P-C4' energy: -14.227 flat angles P-C4'-P energy: -10.139 tors. eta vs tors. theta energy: -15.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -148.258352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.258352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.258352 (E_RNA) where: Base-Base interactions energy: -88.340 where: short stacking energy: -58.217 Base-Backbone interact. energy: -0.047 local terms energy: -59.871080 where: bonds (distance) C4'-P energy: -11.652 bonds (distance) P-C4' energy: -12.576 flat angles C4'-P-C4' energy: -9.662 flat angles P-C4'-P energy: -10.244 tors. eta vs tors. theta energy: -15.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -108.064379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.064379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.064379 (E_RNA) where: Base-Base interactions energy: -61.297 where: short stacking energy: -34.514 Base-Backbone interact. energy: -0.053 local terms energy: -46.714368 where: bonds (distance) C4'-P energy: -5.607 bonds (distance) P-C4' energy: -12.739 flat angles C4'-P-C4' energy: -14.695 flat angles P-C4'-P energy: -8.053 tors. eta vs tors. theta energy: -5.621 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: 8 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -99.165829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.165829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.165829 (E_RNA) where: Base-Base interactions energy: -45.425 where: short stacking energy: -45.425 Base-Backbone interact. energy: -0.101 local terms energy: -53.639546 where: bonds (distance) C4'-P energy: -7.942 bonds (distance) P-C4' energy: -13.229 flat angles C4'-P-C4' energy: -13.422 flat angles P-C4'-P energy: -10.225 tors. eta vs tors. theta energy: -8.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -95.220782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.220782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.220782 (E_RNA) where: Base-Base interactions energy: -47.689 where: short stacking energy: -37.145 Base-Backbone interact. energy: -0.073 local terms energy: -47.459318 where: bonds (distance) C4'-P energy: -12.175 bonds (distance) P-C4' energy: -14.502 flat angles C4'-P-C4' energy: -10.991 flat angles P-C4'-P energy: -6.214 tors. eta vs tors. theta energy: -3.578 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: 9, replica: 1 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -75.853639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.853639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.853639 (E_RNA) where: Base-Base interactions energy: -31.334 where: short stacking energy: -31.334 Base-Backbone interact. energy: -0.099 local terms energy: -44.419975 where: bonds (distance) C4'-P energy: -13.544 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -7.949 flat angles P-C4'-P energy: -7.162 tors. eta vs tors. theta energy: -0.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -66.200761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.200761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.200761 (E_RNA) where: Base-Base interactions energy: -33.140 where: short stacking energy: -27.059 Base-Backbone interact. energy: -0.349 local terms energy: -32.711865 where: bonds (distance) C4'-P energy: -7.992 bonds (distance) P-C4' energy: -11.360 flat angles C4'-P-C4' energy: -7.644 flat angles P-C4'-P energy: -7.060 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: 7 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -161.639488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.639488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.639488 (E_RNA) where: Base-Base interactions energy: -97.949 where: short stacking energy: -59.582 Base-Backbone interact. energy: -0.098 local terms energy: -63.592496 where: bonds (distance) C4'-P energy: -13.829 bonds (distance) P-C4' energy: -13.890 flat angles C4'-P-C4' energy: -14.687 flat angles P-C4'-P energy: -8.074 tors. eta vs tors. theta energy: -13.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -139.654228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.654228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.654228 (E_RNA) where: Base-Base interactions energy: -85.161 where: short stacking energy: -55.261 Base-Backbone interact. energy: -0.300 local terms energy: -54.193499 where: bonds (distance) C4'-P energy: -14.959 bonds (distance) P-C4' energy: -12.603 flat angles C4'-P-C4' energy: -11.589 flat angles P-C4'-P energy: -6.955 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: 3, replica: 4 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -146.678056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.678056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.678056 (E_RNA) where: Base-Base interactions energy: -87.537 where: short stacking energy: -57.659 Base-Backbone interact. energy: -0.417 local terms energy: -58.724252 where: bonds (distance) C4'-P energy: -13.224 bonds (distance) P-C4' energy: -12.976 flat angles C4'-P-C4' energy: -12.855 flat angles P-C4'-P energy: -7.847 tors. eta vs tors. theta energy: -11.822 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: 3 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -136.623851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.623851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.623851 (E_RNA) where: Base-Base interactions energy: -79.377 where: short stacking energy: -49.038 Base-Backbone interact. energy: -0.819 local terms energy: -56.428532 where: bonds (distance) C4'-P energy: -15.026 bonds (distance) P-C4' energy: -12.648 flat angles C4'-P-C4' energy: -9.326 flat angles P-C4'-P energy: -10.761 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: 5, replica: 9 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -92.266016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.266016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.266016 (E_RNA) where: Base-Base interactions energy: -38.108 where: short stacking energy: -38.108 Base-Backbone interact. energy: -0.200 local terms energy: -53.957771 where: bonds (distance) C4'-P energy: -13.792 bonds (distance) P-C4' energy: -10.897 flat angles C4'-P-C4' energy: -12.195 flat angles P-C4'-P energy: -11.489 tors. eta vs tors. theta energy: -5.586 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: 8 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -102.967722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.967722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.967722 (E_RNA) where: Base-Base interactions energy: -51.609 where: short stacking energy: -46.549 Base-Backbone interact. energy: -0.267 local terms energy: -51.092015 where: bonds (distance) C4'-P energy: -15.063 bonds (distance) P-C4' energy: -14.407 flat angles C4'-P-C4' energy: -10.449 flat angles P-C4'-P energy: -3.793 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: 7, replica: 5 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -89.176289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.176289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.176289 (E_RNA) where: Base-Base interactions energy: -35.687 where: short stacking energy: -29.756 Base-Backbone interact. energy: -0.172 local terms energy: -53.316501 where: bonds (distance) C4'-P energy: -9.887 bonds (distance) P-C4' energy: -8.142 flat angles C4'-P-C4' energy: -14.595 flat angles P-C4'-P energy: -11.098 tors. eta vs tors. theta energy: -9.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -96.986750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.986750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.986750 (E_RNA) where: Base-Base interactions energy: -43.322 where: short stacking energy: -39.136 Base-Backbone interact. energy: -0.505 local terms energy: -53.159479 where: bonds (distance) C4'-P energy: -10.027 bonds (distance) P-C4' energy: -12.036 flat angles C4'-P-C4' energy: -11.007 flat angles P-C4'-P energy: -8.640 tors. eta vs tors. theta energy: -11.449 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: 10 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -71.969713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.969713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.969713 (E_RNA) where: Base-Base interactions energy: -28.241 where: short stacking energy: -28.241 Base-Backbone interact. energy: -0.746 local terms energy: -42.982745 where: bonds (distance) C4'-P energy: -6.534 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -11.195 flat angles P-C4'-P energy: -6.549 tors. eta vs tors. theta energy: -4.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -102.582771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.582771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.582771 (E_RNA) where: Base-Base interactions energy: -53.585 where: short stacking energy: -30.810 Base-Backbone interact. energy: -0.117 local terms energy: -48.881296 where: bonds (distance) C4'-P energy: -9.412 bonds (distance) P-C4' energy: -13.875 flat angles C4'-P-C4' energy: -11.830 flat angles P-C4'-P energy: -8.531 tors. eta vs tors. theta energy: -5.234 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: 7 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -152.546613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.546613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.546613 (E_RNA) where: Base-Base interactions energy: -90.353 where: short stacking energy: -51.934 Base-Backbone interact. energy: -0.000 local terms energy: -62.193158 where: bonds (distance) C4'-P energy: -15.055 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -14.301 flat angles P-C4'-P energy: -9.002 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: 2, replica: 6 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -154.359659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.359659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.359659 (E_RNA) where: Base-Base interactions energy: -90.369 where: short stacking energy: -56.079 Base-Backbone interact. energy: -0.018 local terms energy: -63.972483 where: bonds (distance) C4'-P energy: -14.060 bonds (distance) P-C4' energy: -11.429 flat angles C4'-P-C4' energy: -14.111 flat angles P-C4'-P energy: -12.622 tors. eta vs tors. theta energy: -11.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -143.092551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.092551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.092551 (E_RNA) where: Base-Base interactions energy: -86.838 where: short stacking energy: -52.314 Base-Backbone interact. energy: -0.058 local terms energy: -56.196926 where: bonds (distance) C4'-P energy: -12.575 bonds (distance) P-C4' energy: -12.890 flat angles C4'-P-C4' energy: -13.338 flat angles P-C4'-P energy: -9.840 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: 4, replica: 3 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -131.163074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.163074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.163074 (E_RNA) where: Base-Base interactions energy: -83.695 where: short stacking energy: -54.737 Base-Backbone interact. energy: -0.093 local terms energy: -47.374711 where: bonds (distance) C4'-P energy: -5.802 bonds (distance) P-C4' energy: -15.344 flat angles C4'-P-C4' energy: -8.846 flat angles P-C4'-P energy: -8.150 tors. eta vs tors. theta energy: -9.232 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: 8 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -106.990523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.990523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.990523 (E_RNA) where: Base-Base interactions energy: -60.162 where: short stacking energy: -53.633 Base-Backbone interact. energy: -0.111 local terms energy: -46.718338 where: bonds (distance) C4'-P energy: -7.631 bonds (distance) P-C4' energy: -10.930 flat angles C4'-P-C4' energy: -13.201 flat angles P-C4'-P energy: -5.685 tors. eta vs tors. theta energy: -9.271 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: 6, replica: 9 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -101.971495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.971495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.971495 (E_RNA) where: Base-Base interactions energy: -50.427 where: short stacking energy: -50.427 Base-Backbone interact. energy: -0.001 local terms energy: -51.544076 where: bonds (distance) C4'-P energy: -12.633 bonds (distance) P-C4' energy: -11.057 flat angles C4'-P-C4' energy: -10.329 flat angles P-C4'-P energy: -7.892 tors. eta vs tors. theta energy: -9.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -92.692499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.692499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.692499 (E_RNA) where: Base-Base interactions energy: -38.444 where: short stacking energy: -38.062 Base-Backbone interact. energy: -1.182 local terms energy: -53.066405 where: bonds (distance) C4'-P energy: -8.298 bonds (distance) P-C4' energy: -12.718 flat angles C4'-P-C4' energy: -12.508 flat angles P-C4'-P energy: -9.777 tors. eta vs tors. theta energy: -9.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -95.843660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.843660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.843660 (E_RNA) where: Base-Base interactions energy: -54.441 where: short stacking energy: -29.406 Base-Backbone interact. energy: -0.160 local terms energy: -41.242820 where: bonds (distance) C4'-P energy: -12.868 bonds (distance) P-C4' energy: -7.039 flat angles C4'-P-C4' energy: -9.139 flat angles P-C4'-P energy: -8.596 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: 9, replica: 2 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -83.149832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.149832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.149832 (E_RNA) where: Base-Base interactions energy: -32.923 where: short stacking energy: -32.647 Base-Backbone interact. energy: 1.462 local terms energy: -51.688474 where: bonds (distance) C4'-P energy: -16.139 bonds (distance) P-C4' energy: -11.768 flat angles C4'-P-C4' energy: -12.319 flat angles P-C4'-P energy: -7.923 tors. eta vs tors. theta energy: -3.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -79.618938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.618938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.618938 (E_RNA) where: Base-Base interactions energy: -31.854 where: short stacking energy: -31.854 Base-Backbone interact. energy: -0.168 local terms energy: -47.596949 where: bonds (distance) C4'-P energy: -10.963 bonds (distance) P-C4' energy: -13.750 flat angles C4'-P-C4' energy: -11.598 flat angles P-C4'-P energy: -5.996 tors. eta vs tors. theta energy: -5.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -149.526185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.526185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.526185 (E_RNA) where: Base-Base interactions energy: -87.365 where: short stacking energy: -53.242 Base-Backbone interact. energy: -0.002 local terms energy: -62.158695 where: bonds (distance) C4'-P energy: -13.701 bonds (distance) P-C4' energy: -12.256 flat angles C4'-P-C4' energy: -13.336 flat angles P-C4'-P energy: -9.216 tors. eta vs tors. theta energy: -13.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -143.835275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.835275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.835275 (E_RNA) where: Base-Base interactions energy: -82.972 where: short stacking energy: -54.160 Base-Backbone interact. energy: -0.011 local terms energy: -60.852016 where: bonds (distance) C4'-P energy: -11.337 bonds (distance) P-C4' energy: -12.750 flat angles C4'-P-C4' energy: -14.879 flat angles P-C4'-P energy: -10.661 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: 6 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -136.640793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.640793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.640793 (E_RNA) where: Base-Base interactions energy: -75.805 where: short stacking energy: -44.546 Base-Backbone interact. energy: -0.139 local terms energy: -60.696876 where: bonds (distance) C4'-P energy: -14.877 bonds (distance) P-C4' energy: -12.544 flat angles C4'-P-C4' energy: -12.958 flat angles P-C4'-P energy: -9.922 tors. eta vs tors. theta energy: -10.396 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: 4, replica: 3 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -128.783830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.783830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.783830 (E_RNA) where: Base-Base interactions energy: -80.059 where: short stacking energy: -44.971 Base-Backbone interact. energy: -0.013 local terms energy: -48.711266 where: bonds (distance) C4'-P energy: -13.766 bonds (distance) P-C4' energy: -12.115 flat angles C4'-P-C4' energy: -9.364 flat angles P-C4'-P energy: -6.759 tors. eta vs tors. theta energy: -6.707 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: 8 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -120.395556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.395556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.395556 (E_RNA) where: Base-Base interactions energy: -73.569 where: short stacking energy: -45.655 Base-Backbone interact. energy: -0.226 local terms energy: -46.600774 where: bonds (distance) C4'-P energy: -7.155 bonds (distance) P-C4' energy: -12.863 flat angles C4'-P-C4' energy: -12.775 flat angles P-C4'-P energy: -7.323 tors. eta vs tors. theta energy: -6.483 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: 1 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -106.992621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.992621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.992621 (E_RNA) where: Base-Base interactions energy: -50.818 where: short stacking energy: -36.457 Base-Backbone interact. energy: -0.094 local terms energy: -56.080054 where: bonds (distance) C4'-P energy: -10.906 bonds (distance) P-C4' energy: -15.351 flat angles C4'-P-C4' energy: -12.953 flat angles P-C4'-P energy: -9.807 tors. eta vs tors. theta energy: -7.062 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: 9 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -85.249732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.249732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.249732 (E_RNA) where: Base-Base interactions energy: -38.235 where: short stacking energy: -38.172 Base-Backbone interact. energy: 0.389 local terms energy: -47.403150 where: bonds (distance) C4'-P energy: -11.990 bonds (distance) P-C4' energy: -10.669 flat angles C4'-P-C4' energy: -12.031 flat angles P-C4'-P energy: -9.062 tors. eta vs tors. theta energy: -3.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -79.948588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.948588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.948588 (E_RNA) where: Base-Base interactions energy: -37.295 where: short stacking energy: -37.295 Base-Backbone interact. energy: -0.103 local terms energy: -42.550232 where: bonds (distance) C4'-P energy: -8.539 bonds (distance) P-C4' energy: -12.641 flat angles C4'-P-C4' energy: -10.875 flat angles P-C4'-P energy: -9.116 tors. eta vs tors. theta energy: -1.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -86.009270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.009270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.009270 (E_RNA) where: Base-Base interactions energy: -37.246 where: short stacking energy: -35.713 Base-Backbone interact. energy: -0.022 local terms energy: -48.740849 where: bonds (distance) C4'-P energy: -10.558 bonds (distance) P-C4' energy: -13.366 flat angles C4'-P-C4' energy: -7.027 flat angles P-C4'-P energy: -8.184 tors. eta vs tors. theta energy: -9.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -76.798961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.798961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.798961 (E_RNA) where: Base-Base interactions energy: -27.155 where: short stacking energy: -25.642 Base-Backbone interact. energy: -0.124 local terms energy: -49.520554 where: bonds (distance) C4'-P energy: -10.431 bonds (distance) P-C4' energy: -13.383 flat angles C4'-P-C4' energy: -12.216 flat angles P-C4'-P energy: -8.026 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: 1, replica: 4 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -154.291716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.291716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.291716 (E_RNA) where: Base-Base interactions energy: -91.423 where: short stacking energy: -55.678 Base-Backbone interact. energy: -0.000 local terms energy: -62.868809 where: bonds (distance) C4'-P energy: -14.513 bonds (distance) P-C4' energy: -14.973 flat angles C4'-P-C4' energy: -13.595 flat angles P-C4'-P energy: -6.225 tors. eta vs tors. theta energy: -13.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -148.835461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.835461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.835461 (E_RNA) where: Base-Base interactions energy: -86.913 where: short stacking energy: -58.455 Base-Backbone interact. energy: -0.003 local terms energy: -61.919317 where: bonds (distance) C4'-P energy: -12.326 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -13.361 flat angles P-C4'-P energy: -9.199 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: 3, replica: 3 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -132.434949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.434949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.434949 (E_RNA) where: Base-Base interactions energy: -71.038 where: short stacking energy: -48.110 Base-Backbone interact. energy: -0.062 local terms energy: -61.334515 where: bonds (distance) C4'-P energy: -13.034 bonds (distance) P-C4' energy: -14.991 flat angles C4'-P-C4' energy: -15.118 flat angles P-C4'-P energy: -11.082 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: 4, replica: 6 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -138.788705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.788705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.788705 (E_RNA) where: Base-Base interactions energy: -84.455 where: short stacking energy: -56.113 Base-Backbone interact. energy: -0.542 local terms energy: -53.791657 where: bonds (distance) C4'-P energy: -13.234 bonds (distance) P-C4' energy: -14.949 flat angles C4'-P-C4' energy: -10.511 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -11.442 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: 1 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -99.131734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.131734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.131734 (E_RNA) where: Base-Base interactions energy: -41.773 where: short stacking energy: -41.150 Base-Backbone interact. energy: -0.010 local terms energy: -57.348886 where: bonds (distance) C4'-P energy: -15.605 bonds (distance) P-C4' energy: -11.348 flat angles C4'-P-C4' energy: -8.973 flat angles P-C4'-P energy: -12.222 tors. eta vs tors. theta energy: -9.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -115.789251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.789251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.789251 (E_RNA) where: Base-Base interactions energy: -65.840 where: short stacking energy: -33.487 Base-Backbone interact. energy: 0.677 local terms energy: -50.625963 where: bonds (distance) C4'-P energy: -10.774 bonds (distance) P-C4' energy: -14.765 flat angles C4'-P-C4' energy: -10.511 flat angles P-C4'-P energy: -10.745 tors. eta vs tors. theta energy: -3.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -90.558245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.558245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.558245 (E_RNA) where: Base-Base interactions energy: -43.846 where: short stacking energy: -35.671 Base-Backbone interact. energy: -0.682 local terms energy: -46.030062 where: bonds (distance) C4'-P energy: -10.878 bonds (distance) P-C4' energy: -12.212 flat angles C4'-P-C4' energy: -9.777 flat angles P-C4'-P energy: -6.412 tors. eta vs tors. theta energy: -6.751 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: 9 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -87.719785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.719785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.719785 (E_RNA) where: Base-Base interactions energy: -40.490 where: short stacking energy: -40.490 Base-Backbone interact. energy: -0.087 local terms energy: -47.142892 where: bonds (distance) C4'-P energy: -11.440 bonds (distance) P-C4' energy: -8.767 flat angles C4'-P-C4' energy: -10.302 flat angles P-C4'-P energy: -9.544 tors. eta vs tors. theta energy: -7.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -74.941878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.941878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.941878 (E_RNA) where: Base-Base interactions energy: -32.954 where: short stacking energy: -32.954 Base-Backbone interact. energy: -0.047 local terms energy: -41.941770 where: bonds (distance) C4'-P energy: -8.530 bonds (distance) P-C4' energy: -12.760 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: -7.492 tors. eta vs tors. theta energy: -7.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -74.519615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.519615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.519615 (E_RNA) where: Base-Base interactions energy: -34.745 where: short stacking energy: -32.966 Base-Backbone interact. energy: -0.450 local terms energy: -39.323911 where: bonds (distance) C4'-P energy: -11.279 bonds (distance) P-C4' energy: -6.481 flat angles C4'-P-C4' energy: -12.044 flat angles P-C4'-P energy: -6.076 tors. eta vs tors. theta energy: -3.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -151.944308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.944308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.944308 (E_RNA) where: Base-Base interactions energy: -88.529 where: short stacking energy: -53.225 Base-Backbone interact. energy: -0.089 local terms energy: -63.326107 where: bonds (distance) C4'-P energy: -13.047 bonds (distance) P-C4' energy: -14.124 flat angles C4'-P-C4' energy: -14.350 flat angles P-C4'-P energy: -9.500 tors. eta vs tors. theta energy: -12.307 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: 7 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -146.921598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.921598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.921598 (E_RNA) where: Base-Base interactions energy: -89.330 where: short stacking energy: -67.186 Base-Backbone interact. energy: -0.088 local terms energy: -57.503696 where: bonds (distance) C4'-P energy: -9.718 bonds (distance) P-C4' energy: -11.563 flat angles C4'-P-C4' energy: -15.673 flat angles P-C4'-P energy: -11.472 tors. eta vs tors. theta energy: -9.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -144.422259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.422259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.422259 (E_RNA) where: Base-Base interactions energy: -85.220 where: short stacking energy: -56.476 Base-Backbone interact. energy: -0.001 local terms energy: -59.201518 where: bonds (distance) C4'-P energy: -10.376 bonds (distance) P-C4' energy: -12.284 flat angles C4'-P-C4' energy: -15.573 flat angles P-C4'-P energy: -5.603 tors. eta vs tors. theta energy: -15.366 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: 4, replica: 6 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -142.639761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.639761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.639761 (E_RNA) where: Base-Base interactions energy: -85.809 where: short stacking energy: -55.851 Base-Backbone interact. energy: -0.258 local terms energy: -56.572013 where: bonds (distance) C4'-P energy: -13.063 bonds (distance) P-C4' energy: -13.719 flat angles C4'-P-C4' energy: -9.190 flat angles P-C4'-P energy: -7.652 tors. eta vs tors. theta energy: -12.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -100.866001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.866001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.866001 (E_RNA) where: Base-Base interactions energy: -45.415 where: short stacking energy: -44.492 Base-Backbone interact. energy: -0.009 local terms energy: -55.441871 where: bonds (distance) C4'-P energy: -11.938 bonds (distance) P-C4' energy: -12.443 flat angles C4'-P-C4' energy: -12.334 flat angles P-C4'-P energy: -9.984 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: 6, replica: 2 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -94.191342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.191342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.191342 (E_RNA) where: Base-Base interactions energy: -44.969 where: short stacking energy: -42.823 Base-Backbone interact. energy: -0.032 local terms energy: -49.189959 where: bonds (distance) C4'-P energy: -8.101 bonds (distance) P-C4' energy: -12.013 flat angles C4'-P-C4' energy: -11.545 flat angles P-C4'-P energy: -10.325 tors. eta vs tors. theta energy: -7.207 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: 8 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -131.043233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.043233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.043233 (E_RNA) where: Base-Base interactions energy: -80.895 where: short stacking energy: -52.830 Base-Backbone interact. energy: 1.478 local terms energy: -51.626010 where: bonds (distance) C4'-P energy: -12.538 bonds (distance) P-C4' energy: -10.520 flat angles C4'-P-C4' energy: -14.005 flat angles P-C4'-P energy: -5.343 tors. eta vs tors. theta energy: -9.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -88.991728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.991728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.991728 (E_RNA) where: Base-Base interactions energy: -38.766 where: short stacking energy: -38.766 Base-Backbone interact. energy: -0.006 local terms energy: -50.220107 where: bonds (distance) C4'-P energy: -10.129 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -12.682 flat angles P-C4'-P energy: -7.564 tors. eta vs tors. theta energy: -5.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -80.700198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.700198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.700198 (E_RNA) where: Base-Base interactions energy: -35.375 where: short stacking energy: -35.375 Base-Backbone interact. energy: 0.926 local terms energy: -46.251569 where: bonds (distance) C4'-P energy: -9.971 bonds (distance) P-C4' energy: -12.722 flat angles C4'-P-C4' energy: -9.863 flat angles P-C4'-P energy: -3.572 tors. eta vs tors. theta energy: -10.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -72.980269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.980269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.980269 (E_RNA) where: Base-Base interactions energy: -30.679 where: short stacking energy: -30.546 Base-Backbone interact. energy: -0.068 local terms energy: -42.232671 where: bonds (distance) C4'-P energy: -9.415 bonds (distance) P-C4' energy: -11.017 flat angles C4'-P-C4' energy: -8.794 flat angles P-C4'-P energy: -7.866 tors. eta vs tors. theta energy: -5.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -145.985572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.985572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.985572 (E_RNA) where: Base-Base interactions energy: -87.561 where: short stacking energy: -56.724 Base-Backbone interact. energy: -0.007 local terms energy: -58.418319 where: bonds (distance) C4'-P energy: -12.244 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -12.686 flat angles P-C4'-P energy: -7.955 tors. eta vs tors. theta energy: -11.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -150.486952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.486952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.486952 (E_RNA) where: Base-Base interactions energy: -91.946 where: short stacking energy: -51.835 Base-Backbone interact. energy: 0.233 local terms energy: -58.773933 where: bonds (distance) C4'-P energy: -13.022 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -12.288 flat angles P-C4'-P energy: -8.356 tors. eta vs tors. theta energy: -8.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -137.002158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.002158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.002158 (E_RNA) where: Base-Base interactions energy: -83.410 where: short stacking energy: -48.875 Base-Backbone interact. energy: 0.138 local terms energy: -53.730865 where: bonds (distance) C4'-P energy: -6.317 bonds (distance) P-C4' energy: -14.483 flat angles C4'-P-C4' energy: -12.279 flat angles P-C4'-P energy: -9.129 tors. eta vs tors. theta energy: -11.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -141.930046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.930046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.930046 (E_RNA) where: Base-Base interactions energy: -88.990 where: short stacking energy: -57.409 Base-Backbone interact. energy: -0.110 local terms energy: -52.830441 where: bonds (distance) C4'-P energy: -10.278 bonds (distance) P-C4' energy: -9.259 flat angles C4'-P-C4' energy: -12.429 flat angles P-C4'-P energy: -8.232 tors. eta vs tors. theta energy: -12.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -88.519530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.519530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.519530 (E_RNA) where: Base-Base interactions energy: -39.845 where: short stacking energy: -36.697 Base-Backbone interact. energy: -0.115 local terms energy: -48.559825 where: bonds (distance) C4'-P energy: -9.971 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -12.502 flat angles P-C4'-P energy: -8.719 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: 6, replica: 1 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -87.909684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.909684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.909684 (E_RNA) where: Base-Base interactions energy: -37.848 where: short stacking energy: -34.109 Base-Backbone interact. energy: -0.000 local terms energy: -50.061765 where: bonds (distance) C4'-P energy: -12.352 bonds (distance) P-C4' energy: -12.655 flat angles C4'-P-C4' energy: -12.163 flat angles P-C4'-P energy: -5.105 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: 7, replica: 5 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -91.516281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.516281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.516281 (E_RNA) where: Base-Base interactions energy: -42.740 where: short stacking energy: -33.740 Base-Backbone interact. energy: -0.076 local terms energy: -48.700538 where: bonds (distance) C4'-P energy: -8.651 bonds (distance) P-C4' energy: -11.178 flat angles C4'-P-C4' energy: -10.438 flat angles P-C4'-P energy: -10.802 tors. eta vs tors. theta energy: -7.632 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: 222 Temperature: 1.250000 Total energy: -111.370541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.370541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.370541 (E_RNA) where: Base-Base interactions energy: -65.236 where: short stacking energy: -38.011 Base-Backbone interact. energy: -0.002 local terms energy: -46.133203 where: bonds (distance) C4'-P energy: -14.160 bonds (distance) P-C4' energy: -10.156 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -9.607 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: 9, replica: 9 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -74.232614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.232614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.232614 (E_RNA) where: Base-Base interactions energy: -34.852 where: short stacking energy: -34.852 Base-Backbone interact. energy: -0.234 local terms energy: -39.147018 where: bonds (distance) C4'-P energy: -8.712 bonds (distance) P-C4' energy: -9.321 flat angles C4'-P-C4' energy: -10.125 flat angles P-C4'-P energy: -7.363 tors. eta vs tors. theta energy: -3.626 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: 10 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -75.900719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.900719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.900719 (E_RNA) where: Base-Base interactions energy: -35.976 where: short stacking energy: -32.593 Base-Backbone interact. energy: -0.484 local terms energy: -39.440405 where: bonds (distance) C4'-P energy: -8.016 bonds (distance) P-C4' energy: -11.333 flat angles C4'-P-C4' energy: -10.145 flat angles P-C4'-P energy: -8.521 tors. eta vs tors. theta energy: -1.425 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: 7 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -143.315470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.315470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.315470 (E_RNA) where: Base-Base interactions energy: -86.021 where: short stacking energy: -53.803 Base-Backbone interact. energy: -0.859 local terms energy: -56.434904 where: bonds (distance) C4'-P energy: -12.384 bonds (distance) P-C4' energy: -13.942 flat angles C4'-P-C4' energy: -11.763 flat angles P-C4'-P energy: -6.557 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: 2, replica: 6 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -146.701706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.701706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.701706 (E_RNA) where: Base-Base interactions energy: -83.731 where: short stacking energy: -50.001 Base-Backbone interact. energy: 0.156 local terms energy: -63.126667 where: bonds (distance) C4'-P energy: -12.264 bonds (distance) P-C4' energy: -14.407 flat angles C4'-P-C4' energy: -11.966 flat angles P-C4'-P energy: -11.847 tors. eta vs tors. theta energy: -12.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -153.582038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.582038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.582038 (E_RNA) where: Base-Base interactions energy: -91.478 where: short stacking energy: -54.720 Base-Backbone interact. energy: -0.092 local terms energy: -62.012276 where: bonds (distance) C4'-P energy: -10.326 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -12.849 flat angles P-C4'-P energy: -9.320 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: 4, replica: 2 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -100.833693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.833693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.833693 (E_RNA) where: Base-Base interactions energy: -39.303 where: short stacking energy: -39.061 Base-Backbone interact. energy: -0.106 local terms energy: -61.424230 where: bonds (distance) C4'-P energy: -14.192 bonds (distance) P-C4' energy: -12.028 flat angles C4'-P-C4' energy: -14.298 flat angles P-C4'-P energy: -11.698 tors. eta vs tors. theta energy: -9.208 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: 5, replica: 3 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -126.895456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.895456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.895456 (E_RNA) where: Base-Base interactions energy: -77.361 where: short stacking energy: -50.941 Base-Backbone interact. energy: -0.086 local terms energy: -49.449081 where: bonds (distance) C4'-P energy: -12.451 bonds (distance) P-C4' energy: -10.230 flat angles C4'-P-C4' energy: -11.756 flat angles P-C4'-P energy: -4.017 tors. eta vs tors. theta energy: -10.996 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: 223 Temperature: 1.150000 Total energy: -93.893939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.893939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.893939 (E_RNA) where: Base-Base interactions energy: -35.158 where: short stacking energy: -30.437 Base-Backbone interact. energy: -1.040 local terms energy: -57.696160 where: bonds (distance) C4'-P energy: -13.755 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -14.992 flat angles P-C4'-P energy: -10.008 tors. eta vs tors. theta energy: -3.390 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: 1 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -85.643878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.643878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.643878 (E_RNA) where: Base-Base interactions energy: -40.355 where: short stacking energy: -34.766 Base-Backbone interact. energy: -0.182 local terms energy: -45.107071 where: bonds (distance) C4'-P energy: -13.722 bonds (distance) P-C4' energy: -13.187 flat angles C4'-P-C4' energy: -10.196 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: -3.409 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: 9 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -83.871994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.871994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.871994 (E_RNA) where: Base-Base interactions energy: -38.980 where: short stacking energy: -35.847 Base-Backbone interact. energy: -0.945 local terms energy: -43.946476 where: bonds (distance) C4'-P energy: -9.429 bonds (distance) P-C4' energy: -12.427 flat angles C4'-P-C4' energy: -11.801 flat angles P-C4'-P energy: -6.388 tors. eta vs tors. theta energy: -3.902 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: 8 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -115.994347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.994347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.994347 (E_RNA) where: Base-Base interactions energy: -69.527 where: short stacking energy: -40.856 Base-Backbone interact. energy: -0.663 local terms energy: -45.803889 where: bonds (distance) C4'-P energy: -12.089 bonds (distance) P-C4' energy: -12.342 flat angles C4'-P-C4' energy: -10.820 flat angles P-C4'-P energy: -5.622 tors. eta vs tors. theta energy: -4.931 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: 10 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -94.777206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.777206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.777206 (E_RNA) where: Base-Base interactions energy: -59.347 where: short stacking energy: -34.550 Base-Backbone interact. energy: -0.023 local terms energy: -35.407195 where: bonds (distance) C4'-P energy: -8.365 bonds (distance) P-C4' energy: -11.707 flat angles C4'-P-C4' energy: -1.970 flat angles P-C4'-P energy: -8.715 tors. eta vs tors. theta energy: -4.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -153.268523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.268523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.268523 (E_RNA) where: Base-Base interactions energy: -88.990 where: short stacking energy: -50.642 Base-Backbone interact. energy: -0.542 local terms energy: -63.736579 where: bonds (distance) C4'-P energy: -13.110 bonds (distance) P-C4' energy: -14.498 flat angles C4'-P-C4' energy: -13.904 flat angles P-C4'-P energy: -9.131 tors. eta vs tors. theta energy: -13.093 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: 7 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -155.045874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.045874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.045874 (E_RNA) where: Base-Base interactions energy: -100.313 where: short stacking energy: -58.693 Base-Backbone interact. energy: -0.016 local terms energy: -54.716746 where: bonds (distance) C4'-P energy: -12.404 bonds (distance) P-C4' energy: -9.896 flat angles C4'-P-C4' energy: -10.407 flat angles P-C4'-P energy: -8.211 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: 3, replica: 4 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -146.941279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.941279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.941279 (E_RNA) where: Base-Base interactions energy: -86.601 where: short stacking energy: -55.253 Base-Backbone interact. energy: -0.004 local terms energy: -60.337091 where: bonds (distance) C4'-P energy: -10.012 bonds (distance) P-C4' energy: -13.421 flat angles C4'-P-C4' energy: -13.620 flat angles P-C4'-P energy: -9.776 tors. eta vs tors. theta energy: -13.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -104.465418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.465418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.465418 (E_RNA) where: Base-Base interactions energy: -50.255 where: short stacking energy: -50.255 Base-Backbone interact. energy: -0.384 local terms energy: -53.826919 where: bonds (distance) C4'-P energy: -11.821 bonds (distance) P-C4' energy: -16.464 flat angles C4'-P-C4' energy: -7.882 flat angles P-C4'-P energy: -4.924 tors. eta vs tors. theta energy: -12.735 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: 3 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -121.406194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.406194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.406194 (E_RNA) where: Base-Base interactions energy: -71.217 where: short stacking energy: -43.597 Base-Backbone interact. energy: -0.519 local terms energy: -49.670035 where: bonds (distance) C4'-P energy: -9.727 bonds (distance) P-C4' energy: -9.027 flat angles C4'-P-C4' energy: -11.992 flat angles P-C4'-P energy: -7.941 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: 6, replica: 5 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -94.248097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.248097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.248097 (E_RNA) where: Base-Base interactions energy: -53.574 where: short stacking energy: -45.465 Base-Backbone interact. energy: -0.047 local terms energy: -40.626898 where: bonds (distance) C4'-P energy: -7.830 bonds (distance) P-C4' energy: -9.374 flat angles C4'-P-C4' energy: -13.202 flat angles P-C4'-P energy: -3.300 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: 7, replica: 9 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -96.258905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.258905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.258905 (E_RNA) where: Base-Base interactions energy: -52.532 where: short stacking energy: -46.390 Base-Backbone interact. energy: -0.060 local terms energy: -43.666443 where: bonds (distance) C4'-P energy: -7.818 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -10.009 flat angles P-C4'-P energy: -8.190 tors. eta vs tors. theta energy: -11.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -99.322677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.322677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.322677 (E_RNA) where: Base-Base interactions energy: -37.932 where: short stacking energy: -37.932 Base-Backbone interact. energy: -0.004 local terms energy: -61.386618 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -14.730 flat angles C4'-P-C4' energy: -12.395 flat angles P-C4'-P energy: -8.968 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: 9, replica: 10 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -81.914360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.914360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.914360 (E_RNA) where: Base-Base interactions energy: -34.659 where: short stacking energy: -33.594 Base-Backbone interact. energy: -0.173 local terms energy: -47.081981 where: bonds (distance) C4'-P energy: -11.242 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -8.210 flat angles P-C4'-P energy: -8.505 tors. eta vs tors. theta energy: -3.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -95.642096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.642096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.642096 (E_RNA) where: Base-Base interactions energy: -47.755 where: short stacking energy: -25.078 Base-Backbone interact. energy: -0.032 local terms energy: -47.855165 where: bonds (distance) C4'-P energy: -12.495 bonds (distance) P-C4' energy: -13.071 flat angles C4'-P-C4' energy: -9.206 flat angles P-C4'-P energy: -8.742 tors. eta vs tors. theta energy: -4.341 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: 6 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -162.885586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.885586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.885586 (E_RNA) where: Base-Base interactions energy: -98.544 where: short stacking energy: -56.951 Base-Backbone interact. energy: -0.717 local terms energy: -63.624663 where: bonds (distance) C4'-P energy: -15.634 bonds (distance) P-C4' energy: -14.075 flat angles C4'-P-C4' energy: -11.045 flat angles P-C4'-P energy: -8.570 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: 2, replica: 7 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -154.631678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.631678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.631678 (E_RNA) where: Base-Base interactions energy: -94.688 where: short stacking energy: -53.983 Base-Backbone interact. energy: -0.092 local terms energy: -59.852625 where: bonds (distance) C4'-P energy: -13.680 bonds (distance) P-C4' energy: -12.607 flat angles C4'-P-C4' energy: -12.413 flat angles P-C4'-P energy: -8.782 tors. eta vs tors. theta energy: -12.371 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: 3, replica: 4 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -138.750242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.750242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.750242 (E_RNA) where: Base-Base interactions energy: -84.927 where: short stacking energy: -55.144 Base-Backbone interact. energy: -0.414 local terms energy: -53.409308 where: bonds (distance) C4'-P energy: -8.695 bonds (distance) P-C4' energy: -13.873 flat angles C4'-P-C4' energy: -12.047 flat angles P-C4'-P energy: -7.410 tors. eta vs tors. theta energy: -11.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -130.033866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.033866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.033866 (E_RNA) where: Base-Base interactions energy: -78.904 where: short stacking energy: -52.450 Base-Backbone interact. energy: -0.059 local terms energy: -51.071477 where: bonds (distance) C4'-P energy: -10.659 bonds (distance) P-C4' energy: -9.277 flat angles C4'-P-C4' energy: -11.868 flat angles P-C4'-P energy: -8.347 tors. eta vs tors. theta energy: -10.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -102.810228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.810228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.810228 (E_RNA) where: Base-Base interactions energy: -51.651 where: short stacking energy: -37.304 Base-Backbone interact. energy: -0.131 local terms energy: -51.027939 where: bonds (distance) C4'-P energy: -13.763 bonds (distance) P-C4' energy: -11.809 flat angles C4'-P-C4' energy: -8.985 flat angles P-C4'-P energy: -11.301 tors. eta vs tors. theta energy: -5.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -89.925450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.925450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.925450 (E_RNA) where: Base-Base interactions energy: -34.888 where: short stacking energy: -34.868 Base-Backbone interact. energy: 1.105 local terms energy: -56.141858 where: bonds (distance) C4'-P energy: -14.280 bonds (distance) P-C4' energy: -10.977 flat angles C4'-P-C4' energy: -12.182 flat angles P-C4'-P energy: -9.481 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: 7, replica: 9 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -92.392712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.392712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.392712 (E_RNA) where: Base-Base interactions energy: -39.492 where: short stacking energy: -39.492 Base-Backbone interact. energy: -0.120 local terms energy: -52.780239 where: bonds (distance) C4'-P energy: -7.002 bonds (distance) P-C4' energy: -11.448 flat angles C4'-P-C4' energy: -13.530 flat angles P-C4'-P energy: -10.057 tors. eta vs tors. theta energy: -10.743 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: 225 Temperature: 1.250000 Total energy: -89.388642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.388642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.388642 (E_RNA) where: Base-Base interactions energy: -37.284 where: short stacking energy: -33.226 Base-Backbone interact. energy: 0.031 local terms energy: -52.135034 where: bonds (distance) C4'-P energy: -12.480 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -13.108 flat angles P-C4'-P energy: -8.779 tors. eta vs tors. theta energy: -3.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -78.671916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.671916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.671916 (E_RNA) where: Base-Base interactions energy: -34.004 where: short stacking energy: -34.004 Base-Backbone interact. energy: -0.085 local terms energy: -44.582515 where: bonds (distance) C4'-P energy: -7.074 bonds (distance) P-C4' energy: -12.550 flat angles C4'-P-C4' energy: -10.238 flat angles P-C4'-P energy: -9.447 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: 10, replica: 8 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -75.543882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.543882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.543882 (E_RNA) where: Base-Base interactions energy: -37.106 where: short stacking energy: -34.293 Base-Backbone interact. energy: -0.104 local terms energy: -38.334500 where: bonds (distance) C4'-P energy: -11.457 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -8.001 flat angles P-C4'-P energy: -8.473 tors. eta vs tors. theta energy: -5.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -157.609179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.609179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.609179 (E_RNA) where: Base-Base interactions energy: -93.492 where: short stacking energy: -52.794 Base-Backbone interact. energy: -1.149 local terms energy: -62.968181 where: bonds (distance) C4'-P energy: -12.654 bonds (distance) P-C4' energy: -12.714 flat angles C4'-P-C4' energy: -14.265 flat angles P-C4'-P energy: -9.482 tors. eta vs tors. theta energy: -13.854 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: 6 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -160.731518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.731518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.731518 (E_RNA) where: Base-Base interactions energy: -103.361 where: short stacking energy: -60.322 Base-Backbone interact. energy: -0.000 local terms energy: -57.370342 where: bonds (distance) C4'-P energy: -11.631 bonds (distance) P-C4' energy: -12.800 flat angles C4'-P-C4' energy: -12.569 flat angles P-C4'-P energy: -7.027 tors. eta vs tors. theta energy: -13.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -148.418151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.418151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.418151 (E_RNA) where: Base-Base interactions energy: -90.328 where: short stacking energy: -57.051 Base-Backbone interact. energy: -0.432 local terms energy: -57.657364 where: bonds (distance) C4'-P energy: -11.208 bonds (distance) P-C4' energy: -10.677 flat angles C4'-P-C4' energy: -12.865 flat angles P-C4'-P energy: -9.363 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: 4, replica: 3 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -136.641473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.641473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.641473 (E_RNA) where: Base-Base interactions energy: -85.048 where: short stacking energy: -47.142 Base-Backbone interact. energy: -0.166 local terms energy: -51.427113 where: bonds (distance) C4'-P energy: -5.636 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -14.989 flat angles P-C4'-P energy: -6.820 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: 5, replica: 5 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -127.031092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.031092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.031092 (E_RNA) where: Base-Base interactions energy: -64.814 where: short stacking energy: -52.070 Base-Backbone interact. energy: -0.046 local terms energy: -62.170901 where: bonds (distance) C4'-P energy: -12.567 bonds (distance) P-C4' energy: -11.023 flat angles C4'-P-C4' energy: -13.805 flat angles P-C4'-P energy: -10.922 tors. eta vs tors. theta energy: -13.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -93.490096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.490096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.490096 (E_RNA) where: Base-Base interactions energy: -41.411 where: short stacking energy: -39.486 Base-Backbone interact. energy: -0.003 local terms energy: -52.076349 where: bonds (distance) C4'-P energy: -9.581 bonds (distance) P-C4' energy: -9.694 flat angles C4'-P-C4' energy: -15.797 flat angles P-C4'-P energy: -7.677 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: 7, replica: 10 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -87.585342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.585342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.585342 (E_RNA) where: Base-Base interactions energy: -33.010 where: short stacking energy: -32.398 Base-Backbone interact. energy: -0.110 local terms energy: -54.465747 where: bonds (distance) C4'-P energy: -13.776 bonds (distance) P-C4' energy: -12.250 flat angles C4'-P-C4' energy: -12.614 flat angles P-C4'-P energy: -6.792 tors. eta vs tors. theta energy: -9.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -82.861894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.861894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.861894 (E_RNA) where: Base-Base interactions energy: -41.399 where: short stacking energy: -38.889 Base-Backbone interact. energy: -0.098 local terms energy: -41.365090 where: bonds (distance) C4'-P energy: -8.961 bonds (distance) P-C4' energy: -6.433 flat angles C4'-P-C4' energy: -10.521 flat angles P-C4'-P energy: -7.766 tors. eta vs tors. theta energy: -7.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -79.600203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.600203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.600203 (E_RNA) where: Base-Base interactions energy: -33.786 where: short stacking energy: -33.786 Base-Backbone interact. energy: -0.001 local terms energy: -45.813362 where: bonds (distance) C4'-P energy: -10.078 bonds (distance) P-C4' energy: -12.464 flat angles C4'-P-C4' energy: -9.859 flat angles P-C4'-P energy: -4.983 tors. eta vs tors. theta energy: -8.430 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: 10, replica: 1 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -77.036714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.036714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.036714 (E_RNA) where: Base-Base interactions energy: -39.927 where: short stacking energy: -26.988 Base-Backbone interact. energy: -0.193 local terms energy: -36.916667 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -12.937 flat angles C4'-P-C4' energy: -11.089 flat angles P-C4'-P energy: -4.005 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: 7 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -162.885253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.885253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.885253 (E_RNA) where: Base-Base interactions energy: -102.162 where: short stacking energy: -68.353 Base-Backbone interact. energy: -0.176 local terms energy: -60.547593 where: bonds (distance) C4'-P energy: -12.443 bonds (distance) P-C4' energy: -13.268 flat angles C4'-P-C4' energy: -11.835 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -18.423 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: 4 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -136.009414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.009414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.009414 (E_RNA) where: Base-Base interactions energy: -83.413 where: short stacking energy: -56.837 Base-Backbone interact. energy: -0.002 local terms energy: -52.594452 where: bonds (distance) C4'-P energy: -9.620 bonds (distance) P-C4' energy: -9.532 flat angles C4'-P-C4' energy: -12.642 flat angles P-C4'-P energy: -11.904 tors. eta vs tors. theta energy: -8.896 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: 227 Temperature: 1.000000 Total energy: -155.361460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.361460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.361460 (E_RNA) where: Base-Base interactions energy: -88.175 where: short stacking energy: -55.587 Base-Backbone interact. energy: -0.557 local terms energy: -66.629231 where: bonds (distance) C4'-P energy: -16.031 bonds (distance) P-C4' energy: -10.823 flat angles C4'-P-C4' energy: -13.581 flat angles P-C4'-P energy: -10.326 tors. eta vs tors. theta energy: -15.868 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: 3 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -139.809295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.809295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.809295 (E_RNA) where: Base-Base interactions energy: -79.524 where: short stacking energy: -44.126 Base-Backbone interact. energy: -0.002 local terms energy: -60.282835 where: bonds (distance) C4'-P energy: -14.404 bonds (distance) P-C4' energy: -14.246 flat angles C4'-P-C4' energy: -9.929 flat angles P-C4'-P energy: -11.123 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: 5, replica: 5 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -101.302579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.302579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.302579 (E_RNA) where: Base-Base interactions energy: -43.022 where: short stacking energy: -39.506 Base-Backbone interact. energy: -0.061 local terms energy: -58.218971 where: bonds (distance) C4'-P energy: -13.056 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -15.130 flat angles P-C4'-P energy: -7.573 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: 6, replica: 10 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -90.668967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.668967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.668967 (E_RNA) where: Base-Base interactions energy: -52.261 where: short stacking energy: -31.593 Base-Backbone interact. energy: -0.441 local terms energy: -37.966834 where: bonds (distance) C4'-P energy: -11.725 bonds (distance) P-C4' energy: -9.405 flat angles C4'-P-C4' energy: -10.896 flat angles P-C4'-P energy: -5.800 tors. eta vs tors. theta energy: -0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -82.116872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.116872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.116872 (E_RNA) where: Base-Base interactions energy: -39.027 where: short stacking energy: -26.529 Base-Backbone interact. energy: -0.110 local terms energy: -42.979370 where: bonds (distance) C4'-P energy: -9.863 bonds (distance) P-C4' energy: -8.711 flat angles C4'-P-C4' energy: -10.992 flat angles P-C4'-P energy: -7.704 tors. eta vs tors. theta energy: -5.709 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: 8, replica: 9 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -88.921826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.921826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.921826 (E_RNA) where: Base-Base interactions energy: -40.842 where: short stacking energy: -40.171 Base-Backbone interact. energy: -0.104 local terms energy: -47.976103 where: bonds (distance) C4'-P energy: -12.359 bonds (distance) P-C4' energy: -8.709 flat angles C4'-P-C4' energy: -14.127 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -7.729 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: 8 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -91.874534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.874534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.874534 (E_RNA) where: Base-Base interactions energy: -54.293 where: short stacking energy: -34.885 Base-Backbone interact. energy: -0.872 local terms energy: -36.709748 where: bonds (distance) C4'-P energy: -10.194 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -5.984 flat angles P-C4'-P energy: -5.423 tors. eta vs tors. theta energy: -1.967 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: 1 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -80.497099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.497099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.497099 (E_RNA) where: Base-Base interactions energy: -31.133 where: short stacking energy: -31.126 Base-Backbone interact. energy: -0.199 local terms energy: -49.164955 where: bonds (distance) C4'-P energy: -10.444 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -12.751 flat angles P-C4'-P energy: -8.649 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: 1, replica: 7 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -162.860160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.860160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.860160 (E_RNA) where: Base-Base interactions energy: -97.064 where: short stacking energy: -64.887 Base-Backbone interact. energy: -0.738 local terms energy: -65.058250 where: bonds (distance) C4'-P energy: -13.063 bonds (distance) P-C4' energy: -14.160 flat angles C4'-P-C4' energy: -10.771 flat angles P-C4'-P energy: -8.148 tors. eta vs tors. theta energy: -18.915 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: 2, replica: 4 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -134.411363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.411363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.411363 (E_RNA) where: Base-Base interactions energy: -81.257 where: short stacking energy: -49.146 Base-Backbone interact. energy: -0.070 local terms energy: -53.084283 where: bonds (distance) C4'-P energy: -11.821 bonds (distance) P-C4' energy: -11.066 flat angles C4'-P-C4' energy: -12.132 flat angles P-C4'-P energy: -8.177 tors. eta vs tors. theta energy: -9.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -151.492492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.492492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.492492 (E_RNA) where: Base-Base interactions energy: -88.564 where: short stacking energy: -51.153 Base-Backbone interact. energy: -0.029 local terms energy: -62.899461 where: bonds (distance) C4'-P energy: -15.034 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -10.617 flat angles P-C4'-P energy: -9.734 tors. eta vs tors. theta energy: -12.396 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: 4, replica: 3 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -133.610149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.610149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.610149 (E_RNA) where: Base-Base interactions energy: -71.506 where: short stacking energy: -48.758 Base-Backbone interact. energy: -0.348 local terms energy: -61.756160 where: bonds (distance) C4'-P energy: -14.546 bonds (distance) P-C4' energy: -12.075 flat angles C4'-P-C4' energy: -15.348 flat angles P-C4'-P energy: -11.042 tors. eta vs tors. theta energy: -8.746 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: 10 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -115.065490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.065490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.065490 (E_RNA) where: Base-Base interactions energy: -53.067 where: short stacking energy: -53.067 Base-Backbone interact. energy: -0.100 local terms energy: -61.897782 where: bonds (distance) C4'-P energy: -10.046 bonds (distance) P-C4' energy: -11.803 flat angles C4'-P-C4' energy: -15.720 flat angles P-C4'-P energy: -10.159 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: 6, replica: 5 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -99.976535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.976535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.976535 (E_RNA) where: Base-Base interactions energy: -42.686 where: short stacking energy: -38.101 Base-Backbone interact. energy: -0.034 local terms energy: -57.257031 where: bonds (distance) C4'-P energy: -12.493 bonds (distance) P-C4' energy: -11.703 flat angles C4'-P-C4' energy: -12.494 flat angles P-C4'-P energy: -8.980 tors. eta vs tors. theta energy: -11.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -87.605271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.605271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.605271 (E_RNA) where: Base-Base interactions energy: -35.950 where: short stacking energy: -33.281 Base-Backbone interact. energy: -0.159 local terms energy: -51.496828 where: bonds (distance) C4'-P energy: -15.398 bonds (distance) P-C4' energy: -11.623 flat angles C4'-P-C4' energy: -9.451 flat angles P-C4'-P energy: -6.171 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: 8, replica: 2 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -89.111964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.111964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.111964 (E_RNA) where: Base-Base interactions energy: -44.000 where: short stacking energy: -44.000 Base-Backbone interact. energy: -0.013 local terms energy: -45.098678 where: bonds (distance) C4'-P energy: -5.950 bonds (distance) P-C4' energy: -13.258 flat angles C4'-P-C4' energy: -11.785 flat angles P-C4'-P energy: -6.155 tors. eta vs tors. theta energy: -7.951 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: 9, replica: 1 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -83.088714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.088714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.088714 (E_RNA) where: Base-Base interactions energy: -34.749 where: short stacking energy: -34.749 Base-Backbone interact. energy: -0.281 local terms energy: -48.058638 where: bonds (distance) C4'-P energy: -11.991 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -11.398 flat angles P-C4'-P energy: -7.640 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: 228 Temperature: 1.350000 Total energy: -82.871899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.871899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.871899 (E_RNA) where: Base-Base interactions energy: -33.053 where: short stacking energy: -32.518 Base-Backbone interact. energy: -0.042 local terms energy: -49.777149 where: bonds (distance) C4'-P energy: -11.449 bonds (distance) P-C4' energy: -12.789 flat angles C4'-P-C4' energy: -10.921 flat angles P-C4'-P energy: -5.483 tors. eta vs tors. theta energy: -9.136 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: 7 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -158.235247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.235247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.235247 (E_RNA) where: Base-Base interactions energy: -94.205 where: short stacking energy: -61.647 Base-Backbone interact. energy: -0.101 local terms energy: -63.929403 where: bonds (distance) C4'-P energy: -12.550 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -12.614 flat angles P-C4'-P energy: -8.226 tors. eta vs tors. theta energy: -16.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -148.662343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.662343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.662343 (E_RNA) where: Base-Base interactions energy: -89.675 where: short stacking energy: -54.491 Base-Backbone interact. energy: 0.196 local terms energy: -59.183181 where: bonds (distance) C4'-P energy: -13.506 bonds (distance) P-C4' energy: -11.849 flat angles C4'-P-C4' energy: -13.070 flat angles P-C4'-P energy: -9.995 tors. eta vs tors. theta energy: -10.762 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: 4 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -137.363723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.363723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.363723 (E_RNA) where: Base-Base interactions energy: -87.025 where: short stacking energy: -57.496 Base-Backbone interact. energy: -0.448 local terms energy: -49.890757 where: bonds (distance) C4'-P energy: -12.633 bonds (distance) P-C4' energy: -10.806 flat angles C4'-P-C4' energy: -12.716 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: -9.451 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: 4, replica: 3 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -146.923771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.923771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.923771 (E_RNA) where: Base-Base interactions energy: -83.447 where: short stacking energy: -55.670 Base-Backbone interact. energy: -0.001 local terms energy: -63.475532 where: bonds (distance) C4'-P energy: -13.046 bonds (distance) P-C4' energy: -13.544 flat angles C4'-P-C4' energy: -13.098 flat angles P-C4'-P energy: -10.322 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: 5, replica: 10 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -104.127440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.127440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.127440 (E_RNA) where: Base-Base interactions energy: -46.460 where: short stacking energy: -42.052 Base-Backbone interact. energy: 0.332 local terms energy: -57.999493 where: bonds (distance) C4'-P energy: -13.109 bonds (distance) P-C4' energy: -14.167 flat angles C4'-P-C4' energy: -13.723 flat angles P-C4'-P energy: -9.374 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: 5 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -100.275253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.275253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.275253 (E_RNA) where: Base-Base interactions energy: -52.017 where: short stacking energy: -39.121 Base-Backbone interact. energy: -0.124 local terms energy: -48.134745 where: bonds (distance) C4'-P energy: -8.927 bonds (distance) P-C4' energy: -11.729 flat angles C4'-P-C4' energy: -11.994 flat angles P-C4'-P energy: -8.909 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: 7, replica: 9 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -98.521044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.521044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.521044 (E_RNA) where: Base-Base interactions energy: -42.554 where: short stacking energy: -42.554 Base-Backbone interact. energy: -0.001 local terms energy: -55.965380 where: bonds (distance) C4'-P energy: -11.039 bonds (distance) P-C4' energy: -14.607 flat angles C4'-P-C4' energy: -12.065 flat angles P-C4'-P energy: -8.437 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: 8, replica: 1 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -76.897121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.897121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.897121 (E_RNA) where: Base-Base interactions energy: -25.324 where: short stacking energy: -25.324 Base-Backbone interact. energy: 0.914 local terms energy: -52.487398 where: bonds (distance) C4'-P energy: -13.828 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -11.256 flat angles P-C4'-P energy: -5.543 tors. eta vs tors. theta energy: -7.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -78.376986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.376986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.376986 (E_RNA) where: Base-Base interactions energy: -31.249 where: short stacking energy: -31.249 Base-Backbone interact. energy: -0.033 local terms energy: -47.095550 where: bonds (distance) C4'-P energy: -6.635 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -14.550 flat angles P-C4'-P energy: -8.487 tors. eta vs tors. theta energy: -3.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -89.385137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.385137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.385137 (E_RNA) where: Base-Base interactions energy: -37.110 where: short stacking energy: -34.222 Base-Backbone interact. energy: -0.034 local terms energy: -52.241141 where: bonds (distance) C4'-P energy: -13.580 bonds (distance) P-C4' energy: -13.462 flat angles C4'-P-C4' energy: -11.685 flat angles P-C4'-P energy: -6.874 tors. eta vs tors. theta energy: -6.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -160.853053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.853053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.853053 (E_RNA) where: Base-Base interactions energy: -90.620 where: short stacking energy: -54.568 Base-Backbone interact. energy: -0.575 local terms energy: -69.657376 where: bonds (distance) C4'-P energy: -14.182 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -14.832 flat angles P-C4'-P energy: -11.791 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: 2, replica: 7 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -160.535097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.535097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.535097 (E_RNA) where: Base-Base interactions energy: -96.506 where: short stacking energy: -64.083 Base-Backbone interact. energy: -0.001 local terms energy: -64.028103 where: bonds (distance) C4'-P energy: -11.525 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -14.066 flat angles P-C4'-P energy: -9.121 tors. eta vs tors. theta energy: -15.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -136.517436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.517436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.517436 (E_RNA) where: Base-Base interactions energy: -81.937 where: short stacking energy: -44.338 Base-Backbone interact. energy: 0.699 local terms energy: -55.278629 where: bonds (distance) C4'-P energy: -14.233 bonds (distance) P-C4' energy: -12.624 flat angles C4'-P-C4' energy: -12.389 flat angles P-C4'-P energy: -9.708 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: 4, replica: 4 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -132.983962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.983962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.983962 (E_RNA) where: Base-Base interactions energy: -79.473 where: short stacking energy: -52.827 Base-Backbone interact. energy: -0.100 local terms energy: -53.410774 where: bonds (distance) C4'-P energy: -13.714 bonds (distance) P-C4' energy: -9.942 flat angles C4'-P-C4' energy: -13.481 flat angles P-C4'-P energy: -6.978 tors. eta vs tors. theta energy: -9.296 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: 5 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -121.577523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.577523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.577523 (E_RNA) where: Base-Base interactions energy: -64.184 where: short stacking energy: -47.572 Base-Backbone interact. energy: -0.352 local terms energy: -57.041464 where: bonds (distance) C4'-P energy: -9.788 bonds (distance) P-C4' energy: -15.147 flat angles C4'-P-C4' energy: -11.688 flat angles P-C4'-P energy: -6.287 tors. eta vs tors. theta energy: -14.131 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: 230 Temperature: 1.150000 Total energy: -104.130104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.130104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.130104 (E_RNA) where: Base-Base interactions energy: -50.104 where: short stacking energy: -45.368 Base-Backbone interact. energy: 1.119 local terms energy: -55.145117 where: bonds (distance) C4'-P energy: -13.110 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -11.904 flat angles P-C4'-P energy: -6.082 tors. eta vs tors. theta energy: -10.077 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: 230 Temperature: 1.200000 Total energy: -93.131467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.131467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.131467 (E_RNA) where: Base-Base interactions energy: -40.757 where: short stacking energy: -37.470 Base-Backbone interact. energy: -0.012 local terms energy: -52.362431 where: bonds (distance) C4'-P energy: -8.701 bonds (distance) P-C4' energy: -13.725 flat angles C4'-P-C4' energy: -13.814 flat angles P-C4'-P energy: -9.709 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: 8, replica: 9 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -85.516251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.516251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.516251 (E_RNA) where: Base-Base interactions energy: -32.286 where: short stacking energy: -30.761 Base-Backbone interact. energy: -0.046 local terms energy: -53.184717 where: bonds (distance) C4'-P energy: -13.867 bonds (distance) P-C4' energy: -13.986 flat angles C4'-P-C4' energy: -12.957 flat angles P-C4'-P energy: -6.484 tors. eta vs tors. theta energy: -5.890 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: 9, replica: 2 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -84.288061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.288061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.288061 (E_RNA) where: Base-Base interactions energy: -35.411 where: short stacking energy: -35.411 Base-Backbone interact. energy: -0.104 local terms energy: -48.772526 where: bonds (distance) C4'-P energy: -9.462 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -13.543 flat angles P-C4'-P energy: -9.767 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: 10, replica: 8 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -79.441473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.441473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.441473 (E_RNA) where: Base-Base interactions energy: -28.193 where: short stacking energy: -28.667 Base-Backbone interact. energy: -0.138 local terms energy: -51.110175 where: bonds (distance) C4'-P energy: -14.078 bonds (distance) P-C4' energy: -12.023 flat angles C4'-P-C4' energy: -12.497 flat angles P-C4'-P energy: -8.873 tors. eta vs tors. theta energy: -3.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -151.453641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.453641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.453641 (E_RNA) where: Base-Base interactions energy: -93.060 where: short stacking energy: -55.100 Base-Backbone interact. energy: -0.024 local terms energy: -58.369484 where: bonds (distance) C4'-P energy: -12.198 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -11.480 flat angles P-C4'-P energy: -8.836 tors. eta vs tors. theta energy: -12.556 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: 3 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -152.322174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.322174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.322174 (E_RNA) where: Base-Base interactions energy: -93.409 where: short stacking energy: -54.138 Base-Backbone interact. energy: -0.003 local terms energy: -58.910374 where: bonds (distance) C4'-P energy: -11.043 bonds (distance) P-C4' energy: -11.603 flat angles C4'-P-C4' energy: -11.508 flat angles P-C4'-P energy: -12.087 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: 7 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -144.702085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.702085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.702085 (E_RNA) where: Base-Base interactions energy: -84.034 where: short stacking energy: -53.330 Base-Backbone interact. energy: -0.193 local terms energy: -60.474922 where: bonds (distance) C4'-P energy: -10.479 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -14.250 flat angles P-C4'-P energy: -9.009 tors. eta vs tors. theta energy: -10.509 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: 4 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -131.052706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.052706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.052706 (E_RNA) where: Base-Base interactions energy: -78.253 where: short stacking energy: -45.245 Base-Backbone interact. energy: -0.036 local terms energy: -52.763691 where: bonds (distance) C4'-P energy: -11.618 bonds (distance) P-C4' energy: -12.650 flat angles C4'-P-C4' energy: -14.032 flat angles P-C4'-P energy: -6.107 tors. eta vs tors. theta energy: -8.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -101.934149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.934149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.934149 (E_RNA) where: Base-Base interactions energy: -45.897 where: short stacking energy: -42.994 Base-Backbone interact. energy: -0.902 local terms energy: -55.134389 where: bonds (distance) C4'-P energy: -13.329 bonds (distance) P-C4' energy: -13.293 flat angles C4'-P-C4' energy: -11.450 flat angles P-C4'-P energy: -5.951 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: 10 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -94.079521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.079521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.079521 (E_RNA) where: Base-Base interactions energy: -41.414 where: short stacking energy: -41.414 Base-Backbone interact. energy: 0.495 local terms energy: -53.160746 where: bonds (distance) C4'-P energy: -15.187 bonds (distance) P-C4' energy: -10.351 flat angles C4'-P-C4' energy: -12.572 flat angles P-C4'-P energy: -10.303 tors. eta vs tors. theta energy: -4.747 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: 1 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -80.965835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.965835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.965835 (E_RNA) where: Base-Base interactions energy: -38.267 where: short stacking energy: -21.195 Base-Backbone interact. energy: -1.028 local terms energy: -41.670627 where: bonds (distance) C4'-P energy: -11.681 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -6.890 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: -3.106 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: 9 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -91.834543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.834543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.834543 (E_RNA) where: Base-Base interactions energy: -47.070 where: short stacking energy: -47.070 Base-Backbone interact. energy: -0.030 local terms energy: -44.735114 where: bonds (distance) C4'-P energy: -7.551 bonds (distance) P-C4' energy: -11.781 flat angles C4'-P-C4' energy: -11.104 flat angles P-C4'-P energy: -6.314 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: 9, replica: 2 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -83.946759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.946759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.946759 (E_RNA) where: Base-Base interactions energy: -32.683 where: short stacking energy: -32.683 Base-Backbone interact. energy: -0.019 local terms energy: -51.245065 where: bonds (distance) C4'-P energy: -11.540 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -13.485 flat angles P-C4'-P energy: -8.635 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: 10, replica: 8 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -76.541590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.541590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.541590 (E_RNA) where: Base-Base interactions energy: -28.736 where: short stacking energy: -28.736 Base-Backbone interact. energy: -0.001 local terms energy: -47.803808 where: bonds (distance) C4'-P energy: -13.721 bonds (distance) P-C4' energy: -6.605 flat angles C4'-P-C4' energy: -13.636 flat angles P-C4'-P energy: -5.900 tors. eta vs tors. theta energy: -7.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -156.988546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.988546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.988546 (E_RNA) where: Base-Base interactions energy: -94.465 where: short stacking energy: -58.743 Base-Backbone interact. energy: 0.054 local terms energy: -62.577244 where: bonds (distance) C4'-P energy: -13.735 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -12.392 flat angles P-C4'-P energy: -10.908 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: 2, replica: 6 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -159.186994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.186994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.186994 (E_RNA) where: Base-Base interactions energy: -89.553 where: short stacking energy: -54.309 Base-Backbone interact. energy: -0.006 local terms energy: -69.628685 where: bonds (distance) C4'-P energy: -13.978 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -13.351 flat angles P-C4'-P energy: -12.026 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: 3, replica: 7 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -143.297538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.297538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.297538 (E_RNA) where: Base-Base interactions energy: -90.338 where: short stacking energy: -51.116 Base-Backbone interact. energy: -0.011 local terms energy: -52.948025 where: bonds (distance) C4'-P energy: -12.119 bonds (distance) P-C4' energy: -12.887 flat angles C4'-P-C4' energy: -12.508 flat angles P-C4'-P energy: -5.636 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: 4, replica: 4 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -128.068773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.068773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.068773 (E_RNA) where: Base-Base interactions energy: -76.187 where: short stacking energy: -44.850 Base-Backbone interact. energy: -1.370 local terms energy: -50.511764 where: bonds (distance) C4'-P energy: -10.518 bonds (distance) P-C4' energy: -13.723 flat angles C4'-P-C4' energy: -10.439 flat angles P-C4'-P energy: -7.451 tors. eta vs tors. theta energy: -8.381 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: 10 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -100.532193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.532193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.532193 (E_RNA) where: Base-Base interactions energy: -49.592 where: short stacking energy: -49.592 Base-Backbone interact. energy: -0.025 local terms energy: -50.914974 where: bonds (distance) C4'-P energy: -9.911 bonds (distance) P-C4' energy: -14.292 flat angles C4'-P-C4' energy: -12.818 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: -9.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -92.083103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.083103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.083103 (E_RNA) where: Base-Base interactions energy: -40.706 where: short stacking energy: -24.853 Base-Backbone interact. energy: -0.916 local terms energy: -50.460711 where: bonds (distance) C4'-P energy: -10.144 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -13.225 flat angles P-C4'-P energy: -11.004 tors. eta vs tors. theta energy: -1.005 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: 9 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -85.810481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.810481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.810481 (E_RNA) where: Base-Base interactions energy: -41.323 where: short stacking energy: -39.963 Base-Backbone interact. energy: -0.445 local terms energy: -44.042720 where: bonds (distance) C4'-P energy: -6.422 bonds (distance) P-C4' energy: -12.513 flat angles C4'-P-C4' energy: -13.244 flat angles P-C4'-P energy: -8.596 tors. eta vs tors. theta energy: -3.268 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: 8, replica: 1 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -85.255333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.255333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.255333 (E_RNA) where: Base-Base interactions energy: -37.960 where: short stacking energy: -30.879 Base-Backbone interact. energy: -0.060 local terms energy: -47.235423 where: bonds (distance) C4'-P energy: -6.995 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -13.339 flat angles P-C4'-P energy: -4.675 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: 9, replica: 8 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -82.455341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.455341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.455341 (E_RNA) where: Base-Base interactions energy: -37.039 where: short stacking energy: -33.909 Base-Backbone interact. energy: -0.145 local terms energy: -45.271752 where: bonds (distance) C4'-P energy: -10.575 bonds (distance) P-C4' energy: -16.210 flat angles C4'-P-C4' energy: -10.477 flat angles P-C4'-P energy: -7.226 tors. eta vs tors. theta energy: -0.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -67.142772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.142772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.142772 (E_RNA) where: Base-Base interactions energy: -27.299 where: short stacking energy: -22.000 Base-Backbone interact. energy: -0.921 local terms energy: -38.922223 where: bonds (distance) C4'-P energy: -12.699 bonds (distance) P-C4' energy: -11.972 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: -5.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -156.350411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.350411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.350411 (E_RNA) where: Base-Base interactions energy: -93.117 where: short stacking energy: -60.529 Base-Backbone interact. energy: -0.902 local terms energy: -62.331788 where: bonds (distance) C4'-P energy: -12.674 bonds (distance) P-C4' energy: -11.703 flat angles C4'-P-C4' energy: -15.554 flat angles P-C4'-P energy: -9.018 tors. eta vs tors. theta energy: -13.382 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: 233 Temperature: 0.950000 Total energy: -146.751847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.751847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.751847 (E_RNA) where: Base-Base interactions energy: -89.004 where: short stacking energy: -57.611 Base-Backbone interact. energy: -0.782 local terms energy: -56.965951 where: bonds (distance) C4'-P energy: -10.244 bonds (distance) P-C4' energy: -14.011 flat angles C4'-P-C4' energy: -11.279 flat angles P-C4'-P energy: -7.862 tors. eta vs tors. theta energy: -13.571 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: 3, replica: 7 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -141.965912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.965912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.965912 (E_RNA) where: Base-Base interactions energy: -82.632 where: short stacking energy: -51.073 Base-Backbone interact. energy: -0.011 local terms energy: -59.323303 where: bonds (distance) C4'-P energy: -12.327 bonds (distance) P-C4' energy: -13.738 flat angles C4'-P-C4' energy: -15.748 flat angles P-C4'-P energy: -7.260 tors. eta vs tors. theta energy: -10.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -147.260292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.260292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.260292 (E_RNA) where: Base-Base interactions energy: -87.225 where: short stacking energy: -55.400 Base-Backbone interact. energy: -0.735 local terms energy: -59.300191 where: bonds (distance) C4'-P energy: -12.748 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -10.327 flat angles P-C4'-P energy: -10.459 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: 5, replica: 10 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -107.080825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.080825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.080825 (E_RNA) where: Base-Base interactions energy: -55.939 where: short stacking energy: -33.505 Base-Backbone interact. energy: -0.658 local terms energy: -50.484455 where: bonds (distance) C4'-P energy: -14.114 bonds (distance) P-C4' energy: -11.306 flat angles C4'-P-C4' energy: -11.531 flat angles P-C4'-P energy: -9.580 tors. eta vs tors. theta energy: -3.955 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: 5 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -87.591679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.591679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.591679 (E_RNA) where: Base-Base interactions energy: -41.562 where: short stacking energy: -41.562 Base-Backbone interact. energy: 1.625 local terms energy: -47.654710 where: bonds (distance) C4'-P energy: -13.005 bonds (distance) P-C4' energy: -15.023 flat angles C4'-P-C4' energy: -10.137 flat angles P-C4'-P energy: -6.614 tors. eta vs tors. theta energy: -2.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -83.296339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.296339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.296339 (E_RNA) where: Base-Base interactions energy: -34.406 where: short stacking energy: -31.910 Base-Backbone interact. energy: -0.191 local terms energy: -48.699354 where: bonds (distance) C4'-P energy: -13.697 bonds (distance) P-C4' energy: -9.222 flat angles C4'-P-C4' energy: -11.387 flat angles P-C4'-P energy: -8.282 tors. eta vs tors. theta energy: -6.111 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: 1 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -90.721308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.721308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.721308 (E_RNA) where: Base-Base interactions energy: -45.053 where: short stacking energy: -43.989 Base-Backbone interact. energy: -0.012 local terms energy: -45.655472 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -12.296 flat angles C4'-P-C4' energy: -7.446 flat angles P-C4'-P energy: -10.323 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: 9, replica: 8 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -88.895386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.895386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.895386 (E_RNA) where: Base-Base interactions energy: -44.996 where: short stacking energy: -31.302 Base-Backbone interact. energy: -0.075 local terms energy: -43.823981 where: bonds (distance) C4'-P energy: -10.656 bonds (distance) P-C4' energy: -14.907 flat angles C4'-P-C4' energy: -9.442 flat angles P-C4'-P energy: -1.090 tors. eta vs tors. theta energy: -7.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -79.827303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.827303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.827303 (E_RNA) where: Base-Base interactions energy: -38.885 where: short stacking energy: -35.128 Base-Backbone interact. energy: -0.185 local terms energy: -40.756870 where: bonds (distance) C4'-P energy: -9.262 bonds (distance) P-C4' energy: -8.709 flat angles C4'-P-C4' energy: -13.104 flat angles P-C4'-P energy: -7.276 tors. eta vs tors. theta energy: -2.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -152.376704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.376704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.376704 (E_RNA) where: Base-Base interactions energy: -92.150 where: short stacking energy: -55.175 Base-Backbone interact. energy: -0.319 local terms energy: -59.907347 where: bonds (distance) C4'-P energy: -13.569 bonds (distance) P-C4' energy: -15.536 flat angles C4'-P-C4' energy: -13.360 flat angles P-C4'-P energy: -6.963 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: 2, replica: 3 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -149.506704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.506704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.506704 (E_RNA) where: Base-Base interactions energy: -90.935 where: short stacking energy: -51.615 Base-Backbone interact. energy: -0.175 local terms energy: -58.396374 where: bonds (distance) C4'-P energy: -9.420 bonds (distance) P-C4' energy: -11.535 flat angles C4'-P-C4' energy: -15.318 flat angles P-C4'-P energy: -11.111 tors. eta vs tors. theta energy: -11.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -141.469641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.469641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.469641 (E_RNA) where: Base-Base interactions energy: -80.208 where: short stacking energy: -50.451 Base-Backbone interact. energy: -0.042 local terms energy: -61.219664 where: bonds (distance) C4'-P energy: -13.755 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -11.660 flat angles P-C4'-P energy: -8.448 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: 4, replica: 7 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -145.210312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.210312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.210312 (E_RNA) where: Base-Base interactions energy: -86.440 where: short stacking energy: -54.244 Base-Backbone interact. energy: -0.019 local terms energy: -58.751742 where: bonds (distance) C4'-P energy: -12.790 bonds (distance) P-C4' energy: -12.194 flat angles C4'-P-C4' energy: -14.378 flat angles P-C4'-P energy: -8.225 tors. eta vs tors. theta energy: -11.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -90.780723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.780723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.780723 (E_RNA) where: Base-Base interactions energy: -41.021 where: short stacking energy: -37.317 Base-Backbone interact. energy: -0.183 local terms energy: -49.577026 where: bonds (distance) C4'-P energy: -13.773 bonds (distance) P-C4' energy: -12.197 flat angles C4'-P-C4' energy: -14.714 flat angles P-C4'-P energy: -9.124 tors. eta vs tors. theta energy: 0.231 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: 10 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -103.134250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.134250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.134250 (E_RNA) where: Base-Base interactions energy: -55.572 where: short stacking energy: -44.490 Base-Backbone interact. energy: -0.158 local terms energy: -47.404462 where: bonds (distance) C4'-P energy: -6.661 bonds (distance) P-C4' energy: -11.026 flat angles C4'-P-C4' energy: -13.838 flat angles P-C4'-P energy: -8.604 tors. eta vs tors. theta energy: -7.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -85.279081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.279081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.279081 (E_RNA) where: Base-Base interactions energy: -37.913 where: short stacking energy: -36.989 Base-Backbone interact. energy: -0.155 local terms energy: -47.211134 where: bonds (distance) C4'-P energy: -14.484 bonds (distance) P-C4' energy: -12.286 flat angles C4'-P-C4' energy: -11.228 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: -4.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -80.114021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.114021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.114021 (E_RNA) where: Base-Base interactions energy: -40.697 where: short stacking energy: -40.697 Base-Backbone interact. energy: 1.615 local terms energy: -41.031535 where: bonds (distance) C4'-P energy: -8.852 bonds (distance) P-C4' energy: -10.024 flat angles C4'-P-C4' energy: -9.098 flat angles P-C4'-P energy: -6.157 tors. eta vs tors. theta energy: -6.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -87.224669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.224669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.224669 (E_RNA) where: Base-Base interactions energy: -43.662 where: short stacking energy: -43.662 Base-Backbone interact. energy: -0.039 local terms energy: -43.523189 where: bonds (distance) C4'-P energy: -8.493 bonds (distance) P-C4' energy: -12.917 flat angles C4'-P-C4' energy: -10.045 flat angles P-C4'-P energy: -2.949 tors. eta vs tors. theta energy: -9.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -68.199588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.199588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.199588 (E_RNA) where: Base-Base interactions energy: -29.723 where: short stacking energy: -30.523 Base-Backbone interact. energy: -0.167 local terms energy: -38.309366 where: bonds (distance) C4'-P energy: -8.795 bonds (distance) P-C4' energy: -10.079 flat angles C4'-P-C4' energy: -10.533 flat angles P-C4'-P energy: -6.007 tors. eta vs tors. theta energy: -2.895 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: 6 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -148.472314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.472314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.472314 (E_RNA) where: Base-Base interactions energy: -85.516 where: short stacking energy: -51.077 Base-Backbone interact. energy: -0.437 local terms energy: -62.519208 where: bonds (distance) C4'-P energy: -13.432 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -10.967 flat angles P-C4'-P energy: -11.190 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: 4 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -139.433612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.433612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.433612 (E_RNA) where: Base-Base interactions energy: -80.416 where: short stacking energy: -49.107 Base-Backbone interact. energy: -0.010 local terms energy: -59.008161 where: bonds (distance) C4'-P energy: -12.140 bonds (distance) P-C4' energy: -11.145 flat angles C4'-P-C4' energy: -14.851 flat angles P-C4'-P energy: -7.338 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: 3, replica: 3 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -145.606174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.606174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.606174 (E_RNA) where: Base-Base interactions energy: -83.862 where: short stacking energy: -52.682 Base-Backbone interact. energy: -0.003 local terms energy: -61.741766 where: bonds (distance) C4'-P energy: -14.192 bonds (distance) P-C4' energy: -12.324 flat angles C4'-P-C4' energy: -14.093 flat angles P-C4'-P energy: -9.332 tors. eta vs tors. theta energy: -11.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -146.889244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.889244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.889244 (E_RNA) where: Base-Base interactions energy: -85.037 where: short stacking energy: -53.879 Base-Backbone interact. energy: -0.004 local terms energy: -61.848824 where: bonds (distance) C4'-P energy: -14.388 bonds (distance) P-C4' energy: -10.015 flat angles C4'-P-C4' energy: -13.412 flat angles P-C4'-P energy: -11.333 tors. eta vs tors. theta energy: -12.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -94.459704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.459704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.459704 (E_RNA) where: Base-Base interactions energy: -42.083 where: short stacking energy: -36.633 Base-Backbone interact. energy: -0.846 local terms energy: -51.531035 where: bonds (distance) C4'-P energy: -13.096 bonds (distance) P-C4' energy: -12.514 flat angles C4'-P-C4' energy: -10.497 flat angles P-C4'-P energy: -7.866 tors. eta vs tors. theta energy: -7.558 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: 1 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -97.892570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.892570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.892570 (E_RNA) where: Base-Base interactions energy: -45.692 where: short stacking energy: -34.539 Base-Backbone interact. energy: -0.780 local terms energy: -51.420321 where: bonds (distance) C4'-P energy: -12.748 bonds (distance) P-C4' energy: -14.149 flat angles C4'-P-C4' energy: -11.474 flat angles P-C4'-P energy: -9.325 tors. eta vs tors. theta energy: -3.724 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: 10 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -89.176930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.176930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.176930 (E_RNA) where: Base-Base interactions energy: -37.691 where: short stacking energy: -37.691 Base-Backbone interact. energy: -0.024 local terms energy: -51.461116 where: bonds (distance) C4'-P energy: -10.753 bonds (distance) P-C4' energy: -15.004 flat angles C4'-P-C4' energy: -13.331 flat angles P-C4'-P energy: -9.113 tors. eta vs tors. theta energy: -3.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -91.394010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.394010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.394010 (E_RNA) where: Base-Base interactions energy: -40.391 where: short stacking energy: -39.061 Base-Backbone interact. energy: -0.036 local terms energy: -50.967562 where: bonds (distance) C4'-P energy: -10.169 bonds (distance) P-C4' energy: -14.399 flat angles C4'-P-C4' energy: -15.993 flat angles P-C4'-P energy: -2.611 tors. eta vs tors. theta energy: -7.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -79.777515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.777515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.777515 (E_RNA) where: Base-Base interactions energy: -32.339 where: short stacking energy: -31.725 Base-Backbone interact. energy: 0.143 local terms energy: -47.582227 where: bonds (distance) C4'-P energy: -13.531 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -14.084 flat angles P-C4'-P energy: -7.081 tors. eta vs tors. theta energy: 1.795 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: 2 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -80.829775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.829775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.829775 (E_RNA) where: Base-Base interactions energy: -32.265 where: short stacking energy: -32.265 Base-Backbone interact. energy: -0.058 local terms energy: -48.506215 where: bonds (distance) C4'-P energy: -11.723 bonds (distance) P-C4' energy: -12.054 flat angles C4'-P-C4' energy: -11.963 flat angles P-C4'-P energy: -5.468 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: 1, replica: 4 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -149.867804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.867804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.867804 (E_RNA) where: Base-Base interactions energy: -88.264 where: short stacking energy: -53.752 Base-Backbone interact. energy: -0.126 local terms energy: -61.478564 where: bonds (distance) C4'-P energy: -13.705 bonds (distance) P-C4' energy: -11.986 flat angles C4'-P-C4' energy: -13.883 flat angles P-C4'-P energy: -8.638 tors. eta vs tors. theta energy: -13.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -159.707597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.707597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.707597 (E_RNA) where: Base-Base interactions energy: -94.105 where: short stacking energy: -59.945 Base-Backbone interact. energy: -0.103 local terms energy: -65.499313 where: bonds (distance) C4'-P energy: -10.766 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -13.802 flat angles P-C4'-P energy: -11.188 tors. eta vs tors. theta energy: -15.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -151.803037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.803037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.803037 (E_RNA) where: Base-Base interactions energy: -89.821 where: short stacking energy: -57.040 Base-Backbone interact. energy: 0.255 local terms energy: -62.236662 where: bonds (distance) C4'-P energy: -12.588 bonds (distance) P-C4' energy: -14.097 flat angles C4'-P-C4' energy: -12.254 flat angles P-C4'-P energy: -11.982 tors. eta vs tors. theta energy: -11.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -140.835507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.835507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.835507 (E_RNA) where: Base-Base interactions energy: -85.540 where: short stacking energy: -53.798 Base-Backbone interact. energy: -0.258 local terms energy: -55.038266 where: bonds (distance) C4'-P energy: -12.496 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -9.636 flat angles P-C4'-P energy: -5.507 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: 5, replica: 5 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -93.944499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.944499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.944499 (E_RNA) where: Base-Base interactions energy: -39.962 where: short stacking energy: -39.962 Base-Backbone interact. energy: -0.060 local terms energy: -53.922001 where: bonds (distance) C4'-P energy: -12.727 bonds (distance) P-C4' energy: -12.377 flat angles C4'-P-C4' energy: -11.286 flat angles P-C4'-P energy: -8.895 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: 6, replica: 1 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -97.156814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.156814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.156814 (E_RNA) where: Base-Base interactions energy: -39.275 where: short stacking energy: -37.827 Base-Backbone interact. energy: -0.109 local terms energy: -57.772813 where: bonds (distance) C4'-P energy: -14.715 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -14.064 flat angles P-C4'-P energy: -8.308 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: 7, replica: 8 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -78.345522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.345522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.345522 (E_RNA) where: Base-Base interactions energy: -30.916 where: short stacking energy: -22.601 Base-Backbone interact. energy: -1.044 local terms energy: -46.384848 where: bonds (distance) C4'-P energy: -12.679 bonds (distance) P-C4' energy: -14.085 flat angles C4'-P-C4' energy: -10.825 flat angles P-C4'-P energy: -7.877 tors. eta vs tors. theta energy: -0.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -78.985445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.985445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.985445 (E_RNA) where: Base-Base interactions energy: -37.900 where: short stacking energy: -37.900 Base-Backbone interact. energy: -0.344 local terms energy: -40.741504 where: bonds (distance) C4'-P energy: -8.310 bonds (distance) P-C4' energy: -9.197 flat angles C4'-P-C4' energy: -10.813 flat angles P-C4'-P energy: -8.789 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: 2 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -89.965394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.965394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.965394 (E_RNA) where: Base-Base interactions energy: -44.262 where: short stacking energy: -42.029 Base-Backbone interact. energy: 0.218 local terms energy: -45.922243 where: bonds (distance) C4'-P energy: -9.722 bonds (distance) P-C4' energy: -10.539 flat angles C4'-P-C4' energy: -13.234 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: -7.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -75.014192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.014192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.014192 (E_RNA) where: Base-Base interactions energy: -30.333 where: short stacking energy: -30.333 Base-Backbone interact. energy: -0.155 local terms energy: -44.525649 where: bonds (distance) C4'-P energy: -9.826 bonds (distance) P-C4' energy: -14.572 flat angles C4'-P-C4' energy: -10.201 flat angles P-C4'-P energy: -5.671 tors. eta vs tors. theta energy: -4.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -153.676259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.676259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.676259 (E_RNA) where: Base-Base interactions energy: -97.186 where: short stacking energy: -57.367 Base-Backbone interact. energy: -0.155 local terms energy: -56.335988 where: bonds (distance) C4'-P energy: -12.033 bonds (distance) P-C4' energy: -11.059 flat angles C4'-P-C4' energy: -10.787 flat angles P-C4'-P energy: -7.618 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: 2, replica: 3 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -148.730944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.730944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.730944 (E_RNA) where: Base-Base interactions energy: -91.343 where: short stacking energy: -55.037 Base-Backbone interact. energy: -0.024 local terms energy: -57.363555 where: bonds (distance) C4'-P energy: -8.795 bonds (distance) P-C4' energy: -12.849 flat angles C4'-P-C4' energy: -14.245 flat angles P-C4'-P energy: -9.191 tors. eta vs tors. theta energy: -12.285 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: 6 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -144.289895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.289895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.289895 (E_RNA) where: Base-Base interactions energy: -85.442 where: short stacking energy: -53.577 Base-Backbone interact. energy: 0.562 local terms energy: -59.410554 where: bonds (distance) C4'-P energy: -14.360 bonds (distance) P-C4' energy: -12.260 flat angles C4'-P-C4' energy: -13.627 flat angles P-C4'-P energy: -7.816 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: 4, replica: 7 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -134.284435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.284435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.284435 (E_RNA) where: Base-Base interactions energy: -76.335 where: short stacking energy: -44.590 Base-Backbone interact. energy: 1.340 local terms energy: -59.290002 where: bonds (distance) C4'-P energy: -11.785 bonds (distance) P-C4' energy: -15.237 flat angles C4'-P-C4' energy: -14.501 flat angles P-C4'-P energy: -6.162 tors. eta vs tors. theta energy: -11.605 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: 5 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -98.790784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.790784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.790784 (E_RNA) where: Base-Base interactions energy: -43.335 where: short stacking energy: -43.335 Base-Backbone interact. energy: -0.002 local terms energy: -55.453740 where: bonds (distance) C4'-P energy: -14.851 bonds (distance) P-C4' energy: -12.395 flat angles C4'-P-C4' energy: -10.827 flat angles P-C4'-P energy: -8.309 tors. eta vs tors. theta energy: -9.071 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: 8 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -115.256554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.256554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.256554 (E_RNA) where: Base-Base interactions energy: -62.758 where: short stacking energy: -58.055 Base-Backbone interact. energy: -0.645 local terms energy: -51.852670 where: bonds (distance) C4'-P energy: -11.896 bonds (distance) P-C4' energy: -7.843 flat angles C4'-P-C4' energy: -12.183 flat angles P-C4'-P energy: -7.925 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: 1 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -88.058579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.058579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.058579 (E_RNA) where: Base-Base interactions energy: -35.179 where: short stacking energy: -35.179 Base-Backbone interact. energy: -0.067 local terms energy: -52.812700 where: bonds (distance) C4'-P energy: -13.143 bonds (distance) P-C4' energy: -11.534 flat angles C4'-P-C4' energy: -8.724 flat angles P-C4'-P energy: -11.532 tors. eta vs tors. theta energy: -7.879 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: 10 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -81.251131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.251131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.251131 (E_RNA) where: Base-Base interactions energy: -36.300 where: short stacking energy: -33.911 Base-Backbone interact. energy: -0.151 local terms energy: -44.800279 where: bonds (distance) C4'-P energy: -12.073 bonds (distance) P-C4' energy: -14.528 flat angles C4'-P-C4' energy: -10.719 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -3.340 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: 9, replica: 2 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -82.567023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.567023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.567023 (E_RNA) where: Base-Base interactions energy: -36.683 where: short stacking energy: -36.153 Base-Backbone interact. energy: 1.603 local terms energy: -47.486716 where: bonds (distance) C4'-P energy: -12.355 bonds (distance) P-C4' energy: -12.767 flat angles C4'-P-C4' energy: -9.488 flat angles P-C4'-P energy: -9.424 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: 10, replica: 9 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -72.013840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.013840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.013840 (E_RNA) where: Base-Base interactions energy: -35.919 where: short stacking energy: -31.814 Base-Backbone interact. energy: -0.017 local terms energy: -36.077224 where: bonds (distance) C4'-P energy: -7.151 bonds (distance) P-C4' energy: -14.476 flat angles C4'-P-C4' energy: -11.832 flat angles P-C4'-P energy: -5.829 tors. eta vs tors. theta energy: 3.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -160.210886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.210886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.210886 (E_RNA) where: Base-Base interactions energy: -95.477 where: short stacking energy: -60.421 Base-Backbone interact. energy: -1.284 local terms energy: -63.449709 where: bonds (distance) C4'-P energy: -10.070 bonds (distance) P-C4' energy: -13.940 flat angles C4'-P-C4' energy: -13.155 flat angles P-C4'-P energy: -10.384 tors. eta vs tors. theta energy: -15.901 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: 3 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -131.305149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.305149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.305149 (E_RNA) where: Base-Base interactions energy: -70.433 where: short stacking energy: -38.231 Base-Backbone interact. energy: -2.335 local terms energy: -58.536922 where: bonds (distance) C4'-P energy: -12.506 bonds (distance) P-C4' energy: -14.339 flat angles C4'-P-C4' energy: -13.845 flat angles P-C4'-P energy: -8.088 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: 3, replica: 7 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -167.089666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.089666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.089666 (E_RNA) where: Base-Base interactions energy: -102.239 where: short stacking energy: -64.445 Base-Backbone interact. energy: -0.011 local terms energy: -64.840251 where: bonds (distance) C4'-P energy: -10.402 bonds (distance) P-C4' energy: -13.586 flat angles C4'-P-C4' energy: -14.683 flat angles P-C4'-P energy: -10.537 tors. eta vs tors. theta energy: -15.631 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: 4, replica: 6 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -140.440085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.440085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.440085 (E_RNA) where: Base-Base interactions energy: -83.454 where: short stacking energy: -48.768 Base-Backbone interact. energy: 0.674 local terms energy: -57.660739 where: bonds (distance) C4'-P energy: -13.448 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -11.170 flat angles P-C4'-P energy: -12.753 tors. eta vs tors. theta energy: -6.469 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: 238 Temperature: 1.100000 Total energy: -110.567451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.567451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.567451 (E_RNA) where: Base-Base interactions energy: -55.017 where: short stacking energy: -46.905 Base-Backbone interact. energy: -0.013 local terms energy: -55.537647 where: bonds (distance) C4'-P energy: -13.183 bonds (distance) P-C4' energy: -10.945 flat angles C4'-P-C4' energy: -9.119 flat angles P-C4'-P energy: -10.848 tors. eta vs tors. theta energy: -11.443 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: 5 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -105.511703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.511703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.511703 (E_RNA) where: Base-Base interactions energy: -51.482 where: short stacking energy: -46.505 Base-Backbone interact. energy: -0.694 local terms energy: -53.336183 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -14.110 flat angles C4'-P-C4' energy: -12.629 flat angles P-C4'-P energy: -5.209 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: 238 Temperature: 1.200000 Total energy: -101.571556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.571556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.571556 (E_RNA) where: Base-Base interactions energy: -50.995 where: short stacking energy: -49.400 Base-Backbone interact. energy: -0.062 local terms energy: -50.515210 where: bonds (distance) C4'-P energy: -10.986 bonds (distance) P-C4' energy: -11.832 flat angles C4'-P-C4' energy: -11.460 flat angles P-C4'-P energy: -7.168 tors. eta vs tors. theta energy: -9.069 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: 10 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -72.856033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.856033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.856033 (E_RNA) where: Base-Base interactions energy: -25.139 where: short stacking energy: -25.139 Base-Backbone interact. energy: -0.270 local terms energy: -47.447294 where: bonds (distance) C4'-P energy: -9.175 bonds (distance) P-C4' energy: -12.967 flat angles C4'-P-C4' energy: -13.518 flat angles P-C4'-P energy: -8.587 tors. eta vs tors. theta energy: -3.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -82.619272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.619272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.619272 (E_RNA) where: Base-Base interactions energy: -33.006 where: short stacking energy: -30.280 Base-Backbone interact. energy: -1.098 local terms energy: -48.514773 where: bonds (distance) C4'-P energy: -10.615 bonds (distance) P-C4' energy: -9.837 flat angles C4'-P-C4' energy: -13.187 flat angles P-C4'-P energy: -6.952 tors. eta vs tors. theta energy: -7.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -82.049168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.049168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.049168 (E_RNA) where: Base-Base interactions energy: -34.903 where: short stacking energy: -23.300 Base-Backbone interact. energy: 0.435 local terms energy: -47.581947 where: bonds (distance) C4'-P energy: -13.472 bonds (distance) P-C4' energy: -12.232 flat angles C4'-P-C4' energy: -12.515 flat angles P-C4'-P energy: -5.771 tors. eta vs tors. theta energy: -3.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -160.634730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.634730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.634730 (E_RNA) where: Base-Base interactions energy: -100.862 where: short stacking energy: -58.539 Base-Backbone interact. energy: -0.001 local terms energy: -59.770991 where: bonds (distance) C4'-P energy: -13.200 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -13.137 flat angles P-C4'-P energy: -8.464 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: 2, replica: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -151.343571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.343571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.343571 (E_RNA) where: Base-Base interactions energy: -92.336 where: short stacking energy: -56.670 Base-Backbone interact. energy: -0.001 local terms energy: -59.007061 where: bonds (distance) C4'-P energy: -9.454 bonds (distance) P-C4' energy: -13.190 flat angles C4'-P-C4' energy: -12.149 flat angles P-C4'-P energy: -11.171 tors. eta vs tors. theta energy: -13.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -136.505890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.505890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.505890 (E_RNA) where: Base-Base interactions energy: -75.096 where: short stacking energy: -46.395 Base-Backbone interact. energy: -0.036 local terms energy: -61.373742 where: bonds (distance) C4'-P energy: -12.603 bonds (distance) P-C4' energy: -14.551 flat angles C4'-P-C4' energy: -12.677 flat angles P-C4'-P energy: -9.307 tors. eta vs tors. theta energy: -12.235 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: 6 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -133.395463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.395463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.395463 (E_RNA) where: Base-Base interactions energy: -78.866 where: short stacking energy: -48.771 Base-Backbone interact. energy: -0.102 local terms energy: -54.427095 where: bonds (distance) C4'-P energy: -10.274 bonds (distance) P-C4' energy: -13.556 flat angles C4'-P-C4' energy: -11.336 flat angles P-C4'-P energy: -9.140 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: 8 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -132.783383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.783383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.783383 (E_RNA) where: Base-Base interactions energy: -75.491 where: short stacking energy: -44.577 Base-Backbone interact. energy: -0.013 local terms energy: -57.279637 where: bonds (distance) C4'-P energy: -12.834 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -12.937 flat angles P-C4'-P energy: -6.594 tors. eta vs tors. theta energy: -11.436 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: 6, replica: 1 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -90.981030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.981030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.981030 (E_RNA) where: Base-Base interactions energy: -44.249 where: short stacking energy: -29.161 Base-Backbone interact. energy: -0.188 local terms energy: -46.543932 where: bonds (distance) C4'-P energy: -11.369 bonds (distance) P-C4' energy: -11.676 flat angles C4'-P-C4' energy: -15.414 flat angles P-C4'-P energy: -6.842 tors. eta vs tors. theta energy: -1.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -94.309168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.309168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.309168 (E_RNA) where: Base-Base interactions energy: -44.720 where: short stacking energy: -44.720 Base-Backbone interact. energy: -0.059 local terms energy: -49.530362 where: bonds (distance) C4'-P energy: -10.928 bonds (distance) P-C4' energy: -11.171 flat angles C4'-P-C4' energy: -9.918 flat angles P-C4'-P energy: -11.552 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: 10 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -81.480872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.480872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.480872 (E_RNA) where: Base-Base interactions energy: -43.355 where: short stacking energy: -43.355 Base-Backbone interact. energy: -0.157 local terms energy: -37.968854 where: bonds (distance) C4'-P energy: -10.025 bonds (distance) P-C4' energy: -11.370 flat angles C4'-P-C4' energy: -11.117 flat angles P-C4'-P energy: -1.987 tors. eta vs tors. theta energy: -3.470 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: 9, replica: 2 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -83.541683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.541683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.541683 (E_RNA) where: Base-Base interactions energy: -33.924 where: short stacking energy: -32.067 Base-Backbone interact. energy: -0.001 local terms energy: -49.617120 where: bonds (distance) C4'-P energy: -12.624 bonds (distance) P-C4' energy: -13.936 flat angles C4'-P-C4' energy: -12.099 flat angles P-C4'-P energy: -9.021 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: 10, replica: 9 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -85.194809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.194809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.194809 (E_RNA) where: Base-Base interactions energy: -41.175 where: short stacking energy: -36.273 Base-Backbone interact. energy: -0.434 local terms energy: -43.585798 where: bonds (distance) C4'-P energy: -13.014 bonds (distance) P-C4' energy: -8.932 flat angles C4'-P-C4' energy: -9.919 flat angles P-C4'-P energy: -6.847 tors. eta vs tors. theta energy: -4.874 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: 7 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -159.801174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.801174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.801174 (E_RNA) where: Base-Base interactions energy: -95.909 where: short stacking energy: -55.582 Base-Backbone interact. energy: -0.016 local terms energy: -63.875849 where: bonds (distance) C4'-P energy: -14.889 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -12.713 flat angles P-C4'-P energy: -9.890 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: 2, replica: 4 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -160.187119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.187119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.187119 (E_RNA) where: Base-Base interactions energy: -97.065 where: short stacking energy: -59.140 Base-Backbone interact. energy: -0.023 local terms energy: -63.099196 where: bonds (distance) C4'-P energy: -10.021 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -14.709 flat angles P-C4'-P energy: -10.429 tors. eta vs tors. theta energy: -12.371 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: 3, replica: 6 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -149.439484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.439484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.439484 (E_RNA) where: Base-Base interactions energy: -89.399 where: short stacking energy: -57.556 Base-Backbone interact. energy: -0.005 local terms energy: -60.035627 where: bonds (distance) C4'-P energy: -12.603 bonds (distance) P-C4' energy: -13.615 flat angles C4'-P-C4' energy: -11.787 flat angles P-C4'-P energy: -6.885 tors. eta vs tors. theta energy: -15.145 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: 3 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -139.491641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.491641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.491641 (E_RNA) where: Base-Base interactions energy: -81.403 where: short stacking energy: -48.163 Base-Backbone interact. energy: -0.099 local terms energy: -57.989395 where: bonds (distance) C4'-P energy: -13.792 bonds (distance) P-C4' energy: -12.856 flat angles C4'-P-C4' energy: -11.788 flat angles P-C4'-P energy: -8.096 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: 5, replica: 8 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -139.796863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.796863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.796863 (E_RNA) where: Base-Base interactions energy: -84.079 where: short stacking energy: -55.796 Base-Backbone interact. energy: -0.003 local terms energy: -55.714535 where: bonds (distance) C4'-P energy: -12.744 bonds (distance) P-C4' energy: -11.278 flat angles C4'-P-C4' energy: -10.613 flat angles P-C4'-P energy: -7.362 tors. eta vs tors. theta energy: -13.718 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: 1 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -89.006361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.006361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.006361 (E_RNA) where: Base-Base interactions energy: -35.992 where: short stacking energy: -35.992 Base-Backbone interact. energy: -0.182 local terms energy: -52.832511 where: bonds (distance) C4'-P energy: -12.824 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -13.704 flat angles P-C4'-P energy: -4.198 tors. eta vs tors. theta energy: -7.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -83.238579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.238579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.238579 (E_RNA) where: Base-Base interactions energy: -39.906 where: short stacking energy: -39.906 Base-Backbone interact. energy: -0.089 local terms energy: -43.244324 where: bonds (distance) C4'-P energy: -12.505 bonds (distance) P-C4' energy: -12.882 flat angles C4'-P-C4' energy: -11.646 flat angles P-C4'-P energy: -4.828 tors. eta vs tors. theta energy: -1.384 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: 5 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -76.303896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.303896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.303896 (E_RNA) where: Base-Base interactions energy: -35.551 where: short stacking energy: -30.854 Base-Backbone interact. energy: -0.203 local terms energy: -40.550189 where: bonds (distance) C4'-P energy: -9.196 bonds (distance) P-C4' energy: -11.983 flat angles C4'-P-C4' energy: -11.416 flat angles P-C4'-P energy: -9.581 tors. eta vs tors. theta energy: 1.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -80.314411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.314411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.314411 (E_RNA) where: Base-Base interactions energy: -32.922 where: short stacking energy: -15.002 Base-Backbone interact. energy: -0.180 local terms energy: -47.211647 where: bonds (distance) C4'-P energy: -13.055 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -9.988 flat angles P-C4'-P energy: -7.076 tors. eta vs tors. theta energy: -3.089 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: 10, replica: 2 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -92.974246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.974246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.974246 (E_RNA) where: Base-Base interactions energy: -52.271 where: short stacking energy: -33.309 Base-Backbone interact. energy: -0.906 local terms energy: -39.797700 where: bonds (distance) C4'-P energy: -8.262 bonds (distance) P-C4' energy: -11.866 flat angles C4'-P-C4' energy: -10.045 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -6.012 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: 7 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -156.621727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.621727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.621727 (E_RNA) where: Base-Base interactions energy: -90.877 where: short stacking energy: -55.179 Base-Backbone interact. energy: -0.020 local terms energy: -65.724817 where: bonds (distance) C4'-P energy: -13.655 bonds (distance) P-C4' energy: -13.739 flat angles C4'-P-C4' energy: -13.523 flat angles P-C4'-P energy: -12.341 tors. eta vs tors. theta energy: -12.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -143.550304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.550304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.550304 (E_RNA) where: Base-Base interactions energy: -91.182 where: short stacking energy: -57.206 Base-Backbone interact. energy: -0.344 local terms energy: -52.023598 where: bonds (distance) C4'-P energy: -13.519 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -9.875 flat angles P-C4'-P energy: -0.281 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: 3, replica: 4 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -166.425398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.425398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.425398 (E_RNA) where: Base-Base interactions energy: -99.040 where: short stacking energy: -57.567 Base-Backbone interact. energy: -0.000 local terms energy: -67.385024 where: bonds (distance) C4'-P energy: -13.005 bonds (distance) P-C4' energy: -15.160 flat angles C4'-P-C4' energy: -12.983 flat angles P-C4'-P energy: -10.764 tors. eta vs tors. theta energy: -15.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -150.555353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.555353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.555353 (E_RNA) where: Base-Base interactions energy: -90.121 where: short stacking energy: -55.940 Base-Backbone interact. energy: -0.000 local terms energy: -60.434005 where: bonds (distance) C4'-P energy: -9.196 bonds (distance) P-C4' energy: -12.314 flat angles C4'-P-C4' energy: -13.728 flat angles P-C4'-P energy: -10.911 tors. eta vs tors. theta energy: -14.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -130.656113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.656113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.656113 (E_RNA) where: Base-Base interactions energy: -75.906 where: short stacking energy: -41.648 Base-Backbone interact. energy: -0.346 local terms energy: -54.404274 where: bonds (distance) C4'-P energy: -14.032 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -12.700 flat angles P-C4'-P energy: -6.388 tors. eta vs tors. theta energy: -8.779 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: 6, replica: 10 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -92.391316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.391316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.391316 (E_RNA) where: Base-Base interactions energy: -38.243 where: short stacking energy: -38.243 Base-Backbone interact. energy: -0.102 local terms energy: -54.046741 where: bonds (distance) C4'-P energy: -10.741 bonds (distance) P-C4' energy: -12.378 flat angles C4'-P-C4' energy: -14.286 flat angles P-C4'-P energy: -8.255 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: 7, replica: 1 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -84.090057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.090057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.090057 (E_RNA) where: Base-Base interactions energy: -38.702 where: short stacking energy: -38.036 Base-Backbone interact. energy: 0.131 local terms energy: -45.519161 where: bonds (distance) C4'-P energy: -9.470 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -11.447 flat angles P-C4'-P energy: -5.605 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: 9 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -84.796920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.796920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.796920 (E_RNA) where: Base-Base interactions energy: -41.719 where: short stacking energy: -39.933 Base-Backbone interact. energy: -0.158 local terms energy: -42.919530 where: bonds (distance) C4'-P energy: -10.136 bonds (distance) P-C4' energy: -13.308 flat angles C4'-P-C4' energy: -13.329 flat angles P-C4'-P energy: -5.883 tors. eta vs tors. theta energy: -0.265 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: 9, replica: 5 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -81.052910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.052910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.052910 (E_RNA) where: Base-Base interactions energy: -37.531 where: short stacking energy: -37.531 Base-Backbone interact. energy: 0.002 local terms energy: -43.524319 where: bonds (distance) C4'-P energy: -12.649 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -9.214 flat angles P-C4'-P energy: -4.453 tors. eta vs tors. theta energy: -7.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -79.354850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.354850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.354850 (E_RNA) where: Base-Base interactions energy: -34.800 where: short stacking energy: -34.800 Base-Backbone interact. energy: 0.204 local terms energy: -44.759386 where: bonds (distance) C4'-P energy: -9.019 bonds (distance) P-C4' energy: -12.795 flat angles C4'-P-C4' energy: -11.649 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: -5.875 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: 7 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -148.286478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.286478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.286478 (E_RNA) where: Base-Base interactions energy: -88.787 where: short stacking energy: -53.342 Base-Backbone interact. energy: -0.050 local terms energy: -59.449265 where: bonds (distance) C4'-P energy: -13.722 bonds (distance) P-C4' energy: -10.722 flat angles C4'-P-C4' energy: -13.239 flat angles P-C4'-P energy: -8.936 tors. eta vs tors. theta energy: -12.829 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: 242 Temperature: 0.950000 Total energy: -154.572563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.572563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.572563 (E_RNA) where: Base-Base interactions energy: -87.999 where: short stacking energy: -56.532 Base-Backbone interact. energy: -1.006 local terms energy: -65.567007 where: bonds (distance) C4'-P energy: -12.984 bonds (distance) P-C4' energy: -14.345 flat angles C4'-P-C4' energy: -11.723 flat angles P-C4'-P energy: -11.323 tors. eta vs tors. theta energy: -15.192 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: 8 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -147.372566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.372566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.372566 (E_RNA) where: Base-Base interactions energy: -86.155 where: short stacking energy: -51.680 Base-Backbone interact. energy: -0.010 local terms energy: -61.207089 where: bonds (distance) C4'-P energy: -15.311 bonds (distance) P-C4' energy: -12.790 flat angles C4'-P-C4' energy: -13.523 flat angles P-C4'-P energy: -7.757 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: 4, replica: 4 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -146.987662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.987662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.987662 (E_RNA) where: Base-Base interactions energy: -86.364 where: short stacking energy: -52.012 Base-Backbone interact. energy: -0.492 local terms energy: -60.131772 where: bonds (distance) C4'-P energy: -14.599 bonds (distance) P-C4' energy: -15.442 flat angles C4'-P-C4' energy: -13.297 flat angles P-C4'-P energy: -9.091 tors. eta vs tors. theta energy: -7.702 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: 3 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -143.880505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.880505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.880505 (E_RNA) where: Base-Base interactions energy: -82.066 where: short stacking energy: -48.497 Base-Backbone interact. energy: -0.080 local terms energy: -61.734651 where: bonds (distance) C4'-P energy: -15.125 bonds (distance) P-C4' energy: -15.252 flat angles C4'-P-C4' energy: -12.001 flat angles P-C4'-P energy: -8.181 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: 6, replica: 10 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -90.597765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.597765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.597765 (E_RNA) where: Base-Base interactions energy: -39.177 where: short stacking energy: -39.177 Base-Backbone interact. energy: -0.160 local terms energy: -51.260323 where: bonds (distance) C4'-P energy: -8.994 bonds (distance) P-C4' energy: -16.715 flat angles C4'-P-C4' energy: -14.594 flat angles P-C4'-P energy: -7.803 tors. eta vs tors. theta energy: -3.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -96.204364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.204364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.204364 (E_RNA) where: Base-Base interactions energy: -54.932 where: short stacking energy: -34.485 Base-Backbone interact. energy: -0.124 local terms energy: -41.149104 where: bonds (distance) C4'-P energy: -9.778 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -10.752 flat angles P-C4'-P energy: -3.320 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: 8, replica: 1 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -95.129915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.129915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.129915 (E_RNA) where: Base-Base interactions energy: -41.460 where: short stacking energy: -38.444 Base-Backbone interact. energy: -0.010 local terms energy: -53.659990 where: bonds (distance) C4'-P energy: -14.823 bonds (distance) P-C4' energy: -11.727 flat angles C4'-P-C4' energy: -13.230 flat angles P-C4'-P energy: -6.336 tors. eta vs tors. theta energy: -7.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -73.313812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.313812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.313812 (E_RNA) where: Base-Base interactions energy: -30.666 where: short stacking energy: -26.916 Base-Backbone interact. energy: -0.248 local terms energy: -42.400044 where: bonds (distance) C4'-P energy: -12.468 bonds (distance) P-C4' energy: -12.287 flat angles C4'-P-C4' energy: -10.264 flat angles P-C4'-P energy: -7.256 tors. eta vs tors. theta energy: -0.125 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: 10, replica: 5 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -79.402119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.402119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.402119 (E_RNA) where: Base-Base interactions energy: -36.550 where: short stacking energy: -29.699 Base-Backbone interact. energy: -0.174 local terms energy: -42.678092 where: bonds (distance) C4'-P energy: -11.118 bonds (distance) P-C4' energy: -8.558 flat angles C4'-P-C4' energy: -11.894 flat angles P-C4'-P energy: -8.881 tors. eta vs tors. theta energy: -2.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -150.329379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.329379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.329379 (E_RNA) where: Base-Base interactions energy: -83.040 where: short stacking energy: -57.581 Base-Backbone interact. energy: -0.016 local terms energy: -67.273410 where: bonds (distance) C4'-P energy: -13.618 bonds (distance) P-C4' energy: -15.792 flat angles C4'-P-C4' energy: -14.838 flat angles P-C4'-P energy: -9.777 tors. eta vs tors. theta energy: -13.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -162.197829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.197829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.197829 (E_RNA) where: Base-Base interactions energy: -99.772 where: short stacking energy: -63.119 Base-Backbone interact. energy: -0.005 local terms energy: -62.421050 where: bonds (distance) C4'-P energy: -12.913 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -9.758 flat angles P-C4'-P energy: -8.672 tors. eta vs tors. theta energy: -15.537 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: 243 Temperature: 1.000000 Total energy: -145.900291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.900291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.900291 (E_RNA) where: Base-Base interactions energy: -89.318 where: short stacking energy: -56.538 Base-Backbone interact. energy: -0.325 local terms energy: -56.256957 where: bonds (distance) C4'-P energy: -10.781 bonds (distance) P-C4' energy: -12.997 flat angles C4'-P-C4' energy: -11.235 flat angles P-C4'-P energy: -11.615 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: 4, replica: 4 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -136.236467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.236467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.236467 (E_RNA) where: Base-Base interactions energy: -81.546 where: short stacking energy: -50.960 Base-Backbone interact. energy: -0.294 local terms energy: -54.395858 where: bonds (distance) C4'-P energy: -10.844 bonds (distance) P-C4' energy: -12.215 flat angles C4'-P-C4' energy: -14.199 flat angles P-C4'-P energy: -8.267 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: 5, replica: 3 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -130.692703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.692703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.692703 (E_RNA) where: Base-Base interactions energy: -80.217 where: short stacking energy: -46.858 Base-Backbone interact. energy: -0.465 local terms energy: -50.010676 where: bonds (distance) C4'-P energy: -11.423 bonds (distance) P-C4' energy: -12.796 flat angles C4'-P-C4' energy: -10.687 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -9.797 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: 6, replica: 9 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -98.344241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.344241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.344241 (E_RNA) where: Base-Base interactions energy: -45.594 where: short stacking energy: -45.594 Base-Backbone interact. energy: -0.013 local terms energy: -52.737334 where: bonds (distance) C4'-P energy: -9.780 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -11.011 flat angles P-C4'-P energy: -7.407 tors. eta vs tors. theta energy: -10.306 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: 7, replica: 10 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -87.807019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.807019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.807019 (E_RNA) where: Base-Base interactions energy: -35.394 where: short stacking energy: -29.308 Base-Backbone interact. energy: 0.353 local terms energy: -52.765505 where: bonds (distance) C4'-P energy: -14.479 bonds (distance) P-C4' energy: -13.591 flat angles C4'-P-C4' energy: -14.059 flat angles P-C4'-P energy: -8.652 tors. eta vs tors. theta energy: -1.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -89.946917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.946917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.946917 (E_RNA) where: Base-Base interactions energy: -41.668 where: short stacking energy: -36.569 Base-Backbone interact. energy: -0.282 local terms energy: -47.997320 where: bonds (distance) C4'-P energy: -9.200 bonds (distance) P-C4' energy: -8.950 flat angles C4'-P-C4' energy: -14.290 flat angles P-C4'-P energy: -7.926 tors. eta vs tors. theta energy: -7.631 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: 9, replica: 2 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -82.120198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.120198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.120198 (E_RNA) where: Base-Base interactions energy: -34.886 where: short stacking energy: -33.515 Base-Backbone interact. energy: -0.103 local terms energy: -47.130823 where: bonds (distance) C4'-P energy: -11.805 bonds (distance) P-C4' energy: -13.761 flat angles C4'-P-C4' energy: -8.661 flat angles P-C4'-P energy: -7.483 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: 10, replica: 5 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -72.604588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.604588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.604588 (E_RNA) where: Base-Base interactions energy: -33.231 where: short stacking energy: -27.657 Base-Backbone interact. energy: -0.180 local terms energy: -39.193694 where: bonds (distance) C4'-P energy: -6.241 bonds (distance) P-C4' energy: -14.022 flat angles C4'-P-C4' energy: -13.333 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: -2.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -163.460173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.460173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.460173 (E_RNA) where: Base-Base interactions energy: -100.280 where: short stacking energy: -63.960 Base-Backbone interact. energy: -0.000 local terms energy: -63.179289 where: bonds (distance) C4'-P energy: -10.617 bonds (distance) P-C4' energy: -15.559 flat angles C4'-P-C4' energy: -11.069 flat angles P-C4'-P energy: -10.040 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: 2, replica: 7 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -142.441740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.441740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.441740 (E_RNA) where: Base-Base interactions energy: -82.149 where: short stacking energy: -55.272 Base-Backbone interact. energy: -0.002 local terms energy: -60.290680 where: bonds (distance) C4'-P energy: -13.365 bonds (distance) P-C4' energy: -14.545 flat angles C4'-P-C4' energy: -12.095 flat angles P-C4'-P energy: -9.835 tors. eta vs tors. theta energy: -10.451 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: 3, replica: 4 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -128.746839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.746839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.746839 (E_RNA) where: Base-Base interactions energy: -74.874 where: short stacking energy: -44.687 Base-Backbone interact. energy: -0.185 local terms energy: -53.688304 where: bonds (distance) C4'-P energy: -13.312 bonds (distance) P-C4' energy: -16.253 flat angles C4'-P-C4' energy: -11.354 flat angles P-C4'-P energy: -8.386 tors. eta vs tors. theta energy: -4.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -146.742025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.742025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.742025 (E_RNA) where: Base-Base interactions energy: -86.723 where: short stacking energy: -57.144 Base-Backbone interact. energy: -0.092 local terms energy: -59.927219 where: bonds (distance) C4'-P energy: -12.273 bonds (distance) P-C4' energy: -11.283 flat angles C4'-P-C4' energy: -13.543 flat angles P-C4'-P energy: -10.691 tors. eta vs tors. theta energy: -12.138 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: 3 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -131.087711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.087711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.087711 (E_RNA) where: Base-Base interactions energy: -77.994 where: short stacking energy: -45.407 Base-Backbone interact. energy: 0.143 local terms energy: -53.236398 where: bonds (distance) C4'-P energy: -10.081 bonds (distance) P-C4' energy: -12.455 flat angles C4'-P-C4' energy: -12.428 flat angles P-C4'-P energy: -11.142 tors. eta vs tors. theta energy: -7.131 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: 9 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -98.399626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.399626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.399626 (E_RNA) where: Base-Base interactions energy: -48.094 where: short stacking energy: -38.650 Base-Backbone interact. energy: 0.641 local terms energy: -50.946983 where: bonds (distance) C4'-P energy: -12.015 bonds (distance) P-C4' energy: -12.378 flat angles C4'-P-C4' energy: -11.801 flat angles P-C4'-P energy: -11.711 tors. eta vs tors. theta energy: -3.042 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: 1 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -86.669350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.669350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.669350 (E_RNA) where: Base-Base interactions energy: -45.778 where: short stacking energy: -37.881 Base-Backbone interact. energy: -0.860 local terms energy: -40.031566 where: bonds (distance) C4'-P energy: -12.429 bonds (distance) P-C4' energy: -13.283 flat angles C4'-P-C4' energy: -2.153 flat angles P-C4'-P energy: -9.727 tors. eta vs tors. theta energy: -2.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -79.786430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.786430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.786430 (E_RNA) where: Base-Base interactions energy: -33.357 where: short stacking energy: -25.186 Base-Backbone interact. energy: 0.299 local terms energy: -46.728804 where: bonds (distance) C4'-P energy: -12.852 bonds (distance) P-C4' energy: -14.557 flat angles C4'-P-C4' energy: -13.607 flat angles P-C4'-P energy: -6.066 tors. eta vs tors. theta energy: 0.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -87.076054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.076054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.076054 (E_RNA) where: Base-Base interactions energy: -43.813 where: short stacking energy: -28.058 Base-Backbone interact. energy: -0.179 local terms energy: -43.084298 where: bonds (distance) C4'-P energy: -11.316 bonds (distance) P-C4' energy: -12.240 flat angles C4'-P-C4' energy: -9.081 flat angles P-C4'-P energy: -7.768 tors. eta vs tors. theta energy: -2.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -72.502961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.502961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.502961 (E_RNA) where: Base-Base interactions energy: -31.232 where: short stacking energy: -31.232 Base-Backbone interact. energy: 0.249 local terms energy: -41.520652 where: bonds (distance) C4'-P energy: -12.434 bonds (distance) P-C4' energy: -11.552 flat angles C4'-P-C4' energy: -13.821 flat angles P-C4'-P energy: 2.184 tors. eta vs tors. theta energy: -5.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -168.309907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.309907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.309907 (E_RNA) where: Base-Base interactions energy: -101.747 where: short stacking energy: -64.828 Base-Backbone interact. energy: -0.013 local terms energy: -66.549786 where: bonds (distance) C4'-P energy: -14.032 bonds (distance) P-C4' energy: -11.074 flat angles C4'-P-C4' energy: -15.284 flat angles P-C4'-P energy: -9.948 tors. eta vs tors. theta energy: -16.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -148.016428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.016428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.016428 (E_RNA) where: Base-Base interactions energy: -88.774 where: short stacking energy: -51.894 Base-Backbone interact. energy: -1.262 local terms energy: -57.980951 where: bonds (distance) C4'-P energy: -12.711 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -12.881 flat angles P-C4'-P energy: -7.666 tors. eta vs tors. theta energy: -10.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -122.254996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.254996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.254996 (E_RNA) where: Base-Base interactions energy: -70.799 where: short stacking energy: -45.867 Base-Backbone interact. energy: -0.017 local terms energy: -51.439232 where: bonds (distance) C4'-P energy: -13.022 bonds (distance) P-C4' energy: -12.106 flat angles C4'-P-C4' energy: -13.346 flat angles P-C4'-P energy: -6.174 tors. eta vs tors. theta energy: -6.791 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: 6 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -157.623922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.623922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.623922 (E_RNA) where: Base-Base interactions energy: -95.018 where: short stacking energy: -57.327 Base-Backbone interact. energy: -0.099 local terms energy: -62.506501 where: bonds (distance) C4'-P energy: -11.793 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -15.971 flat angles P-C4'-P energy: -8.220 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: 5, replica: 3 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -133.122124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.122124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.122124 (E_RNA) where: Base-Base interactions energy: -83.148 where: short stacking energy: -50.420 Base-Backbone interact. energy: 1.663 local terms energy: -51.636819 where: bonds (distance) C4'-P energy: -7.589 bonds (distance) P-C4' energy: -10.644 flat angles C4'-P-C4' energy: -9.096 flat angles P-C4'-P energy: -10.284 tors. eta vs tors. theta energy: -14.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -92.935942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.935942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.935942 (E_RNA) where: Base-Base interactions energy: -42.418 where: short stacking energy: -39.867 Base-Backbone interact. energy: -0.698 local terms energy: -49.819616 where: bonds (distance) C4'-P energy: -9.684 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -10.346 flat angles P-C4'-P energy: -10.651 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: 9 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -115.798378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.798378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.798378 (E_RNA) where: Base-Base interactions energy: -60.651 where: short stacking energy: -41.314 Base-Backbone interact. energy: -0.449 local terms energy: -54.698869 where: bonds (distance) C4'-P energy: -15.535 bonds (distance) P-C4' energy: -11.756 flat angles C4'-P-C4' energy: -11.601 flat angles P-C4'-P energy: -9.005 tors. eta vs tors. theta energy: -6.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -91.682722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.682722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.682722 (E_RNA) where: Base-Base interactions energy: -42.100 where: short stacking energy: -43.203 Base-Backbone interact. energy: -0.040 local terms energy: -49.542535 where: bonds (distance) C4'-P energy: -12.512 bonds (distance) P-C4' energy: -11.694 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -3.934 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: 9, replica: 10 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -77.602780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.602780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.602780 (E_RNA) where: Base-Base interactions energy: -40.192 where: short stacking energy: -30.615 Base-Backbone interact. energy: -0.023 local terms energy: -37.387932 where: bonds (distance) C4'-P energy: -9.871 bonds (distance) P-C4' energy: -13.283 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -4.906 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: 2 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -80.534265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.534265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.534265 (E_RNA) where: Base-Base interactions energy: -32.789 where: short stacking energy: -32.789 Base-Backbone interact. energy: -0.015 local terms energy: -47.729791 where: bonds (distance) C4'-P energy: -13.526 bonds (distance) P-C4' energy: -13.870 flat angles C4'-P-C4' energy: -12.184 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -4.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -166.027323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.027323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.027323 (E_RNA) where: Base-Base interactions energy: -103.892 where: short stacking energy: -61.210 Base-Backbone interact. energy: -0.003 local terms energy: -62.131504 where: bonds (distance) C4'-P energy: -12.596 bonds (distance) P-C4' energy: -12.049 flat angles C4'-P-C4' energy: -12.593 flat angles P-C4'-P energy: -9.504 tors. eta vs tors. theta energy: -15.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -149.214887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.214887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.214887 (E_RNA) where: Base-Base interactions energy: -90.568 where: short stacking energy: -50.477 Base-Backbone interact. energy: 0.669 local terms energy: -59.315527 where: bonds (distance) C4'-P energy: -11.246 bonds (distance) P-C4' energy: -13.468 flat angles C4'-P-C4' energy: -11.364 flat angles P-C4'-P energy: -8.824 tors. eta vs tors. theta energy: -14.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -143.178488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.178488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.178488 (E_RNA) where: Base-Base interactions energy: -81.562 where: short stacking energy: -54.280 Base-Backbone interact. energy: -0.427 local terms energy: -61.189830 where: bonds (distance) C4'-P energy: -13.187 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -13.502 flat angles P-C4'-P energy: -9.204 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: 4, replica: 6 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -136.534844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.534844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.534844 (E_RNA) where: Base-Base interactions energy: -88.366 where: short stacking energy: -53.432 Base-Backbone interact. energy: -0.024 local terms energy: -48.145035 where: bonds (distance) C4'-P energy: -11.011 bonds (distance) P-C4' energy: -11.513 flat angles C4'-P-C4' energy: -11.428 flat angles P-C4'-P energy: -3.076 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: 5, replica: 3 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -132.799331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.799331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.799331 (E_RNA) where: Base-Base interactions energy: -82.572 where: short stacking energy: -48.416 Base-Backbone interact. energy: 0.912 local terms energy: -51.139085 where: bonds (distance) C4'-P energy: -11.257 bonds (distance) P-C4' energy: -12.414 flat angles C4'-P-C4' energy: -12.942 flat angles P-C4'-P energy: -11.346 tors. eta vs tors. theta energy: -3.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -89.723765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.723765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.723765 (E_RNA) where: Base-Base interactions energy: -42.891 where: short stacking energy: -42.891 Base-Backbone interact. energy: -0.002 local terms energy: -46.831142 where: bonds (distance) C4'-P energy: -11.113 bonds (distance) P-C4' energy: -9.250 flat angles C4'-P-C4' energy: -14.795 flat angles P-C4'-P energy: -6.361 tors. eta vs tors. theta energy: -5.312 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: 9 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -93.920479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.920479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.920479 (E_RNA) where: Base-Base interactions energy: -41.664 where: short stacking energy: -40.275 Base-Backbone interact. energy: -0.121 local terms energy: -52.136246 where: bonds (distance) C4'-P energy: -11.595 bonds (distance) P-C4' energy: -14.396 flat angles C4'-P-C4' energy: -11.799 flat angles P-C4'-P energy: -5.594 tors. eta vs tors. theta energy: -8.752 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: 246 Temperature: 1.250000 Total energy: -88.031976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.031976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.031976 (E_RNA) where: Base-Base interactions energy: -39.138 where: short stacking energy: -34.657 Base-Backbone interact. energy: -0.027 local terms energy: -48.867454 where: bonds (distance) C4'-P energy: -9.780 bonds (distance) P-C4' energy: -12.760 flat angles C4'-P-C4' energy: -7.870 flat angles P-C4'-P energy: -10.210 tors. eta vs tors. theta energy: -8.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -112.712619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.712619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.712619 (E_RNA) where: Base-Base interactions energy: -68.043 where: short stacking energy: -41.011 Base-Backbone interact. energy: -0.071 local terms energy: -44.597974 where: bonds (distance) C4'-P energy: -9.710 bonds (distance) P-C4' energy: -13.510 flat angles C4'-P-C4' energy: -11.825 flat angles P-C4'-P energy: -2.512 tors. eta vs tors. theta energy: -7.042 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: 246 Temperature: 1.350000 Total energy: -81.797787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.797787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.797787 (E_RNA) where: Base-Base interactions energy: -31.865 where: short stacking energy: -31.120 Base-Backbone interact. energy: -0.782 local terms energy: -49.150167 where: bonds (distance) C4'-P energy: -14.673 bonds (distance) P-C4' energy: -12.122 flat angles C4'-P-C4' energy: -12.200 flat angles P-C4'-P energy: -7.882 tors. eta vs tors. theta energy: -2.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -167.241544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.241544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.241544 (E_RNA) where: Base-Base interactions energy: -103.888 where: short stacking energy: -71.458 Base-Backbone interact. energy: -0.603 local terms energy: -62.749891 where: bonds (distance) C4'-P energy: -13.435 bonds (distance) P-C4' energy: -14.762 flat angles C4'-P-C4' energy: -11.713 flat angles P-C4'-P energy: -5.176 tors. eta vs tors. theta energy: -17.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -146.634505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.634505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.634505 (E_RNA) where: Base-Base interactions energy: -89.273 where: short stacking energy: -54.637 Base-Backbone interact. energy: -0.161 local terms energy: -57.201051 where: bonds (distance) C4'-P energy: -15.696 bonds (distance) P-C4' energy: -11.982 flat angles C4'-P-C4' energy: -11.371 flat angles P-C4'-P energy: -8.297 tors. eta vs tors. theta energy: -9.854 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: 4 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -139.240141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.240141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.240141 (E_RNA) where: Base-Base interactions energy: -84.989 where: short stacking energy: -60.317 Base-Backbone interact. energy: -0.042 local terms energy: -54.209167 where: bonds (distance) C4'-P energy: -11.552 bonds (distance) P-C4' energy: -10.738 flat angles C4'-P-C4' energy: -10.096 flat angles P-C4'-P energy: -7.066 tors. eta vs tors. theta energy: -14.757 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: 6 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -144.155038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.155038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.155038 (E_RNA) where: Base-Base interactions energy: -83.983 where: short stacking energy: -40.868 Base-Backbone interact. energy: 0.721 local terms energy: -60.892753 where: bonds (distance) C4'-P energy: -15.257 bonds (distance) P-C4' energy: -14.495 flat angles C4'-P-C4' energy: -11.349 flat angles P-C4'-P energy: -10.422 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: 5, replica: 3 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -133.767796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.767796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.767796 (E_RNA) where: Base-Base interactions energy: -81.503 where: short stacking energy: -40.483 Base-Backbone interact. energy: 1.090 local terms energy: -53.354479 where: bonds (distance) C4'-P energy: -12.679 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -12.874 flat angles P-C4'-P energy: -3.249 tors. eta vs tors. theta energy: -10.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -89.348996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.348996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.348996 (E_RNA) where: Base-Base interactions energy: -41.295 where: short stacking energy: -41.295 Base-Backbone interact. energy: -0.193 local terms energy: -47.860373 where: bonds (distance) C4'-P energy: -15.083 bonds (distance) P-C4' energy: -12.624 flat angles C4'-P-C4' energy: -11.368 flat angles P-C4'-P energy: -6.048 tors. eta vs tors. theta energy: -2.738 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: 7, replica: 9 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -92.004350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.004350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.004350 (E_RNA) where: Base-Base interactions energy: -40.897 where: short stacking energy: -39.473 Base-Backbone interact. energy: -0.064 local terms energy: -51.043829 where: bonds (distance) C4'-P energy: -14.094 bonds (distance) P-C4' energy: -10.225 flat angles C4'-P-C4' energy: -12.935 flat angles P-C4'-P energy: -8.893 tors. eta vs tors. theta energy: -4.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -105.509497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.509497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.509497 (E_RNA) where: Base-Base interactions energy: -58.951 where: short stacking energy: -32.200 Base-Backbone interact. energy: -0.088 local terms energy: -46.469716 where: bonds (distance) C4'-P energy: -14.699 bonds (distance) P-C4' energy: -14.196 flat angles C4'-P-C4' energy: -9.953 flat angles P-C4'-P energy: -6.086 tors. eta vs tors. theta energy: -1.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -80.732429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.732429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.732429 (E_RNA) where: Base-Base interactions energy: -30.792 where: short stacking energy: -30.792 Base-Backbone interact. energy: -0.010 local terms energy: -49.930305 where: bonds (distance) C4'-P energy: -12.638 bonds (distance) P-C4' energy: -12.287 flat angles C4'-P-C4' energy: -12.627 flat angles P-C4'-P energy: -7.213 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: 10, replica: 10 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -79.282682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.282682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.282682 (E_RNA) where: Base-Base interactions energy: -33.057 where: short stacking energy: -33.057 Base-Backbone interact. energy: -0.072 local terms energy: -46.153148 where: bonds (distance) C4'-P energy: -13.142 bonds (distance) P-C4' energy: -15.008 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -5.483 tors. eta vs tors. theta energy: -8.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -166.896538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.896538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.896538 (E_RNA) where: Base-Base interactions energy: -101.012 where: short stacking energy: -65.960 Base-Backbone interact. energy: -0.000 local terms energy: -65.884621 where: bonds (distance) C4'-P energy: -12.728 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -11.953 flat angles P-C4'-P energy: -10.684 tors. eta vs tors. theta energy: -16.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -146.619411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.619411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.619411 (E_RNA) where: Base-Base interactions energy: -83.108 where: short stacking energy: -51.419 Base-Backbone interact. energy: 0.136 local terms energy: -63.647890 where: bonds (distance) C4'-P energy: -10.977 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -14.263 flat angles P-C4'-P energy: -10.973 tors. eta vs tors. theta energy: -12.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -149.928120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.928120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.928120 (E_RNA) where: Base-Base interactions energy: -88.149 where: short stacking energy: -53.109 Base-Backbone interact. energy: -0.102 local terms energy: -61.676968 where: bonds (distance) C4'-P energy: -14.355 bonds (distance) P-C4' energy: -11.834 flat angles C4'-P-C4' energy: -10.702 flat angles P-C4'-P energy: -10.150 tors. eta vs tors. theta energy: -14.637 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: 4 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -146.653229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.653229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.653229 (E_RNA) where: Base-Base interactions energy: -83.184 where: short stacking energy: -53.363 Base-Backbone interact. energy: -0.000 local terms energy: -63.469605 where: bonds (distance) C4'-P energy: -14.268 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -13.539 flat angles P-C4'-P energy: -7.260 tors. eta vs tors. theta energy: -15.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -106.545720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.545720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.545720 (E_RNA) where: Base-Base interactions energy: -53.832 where: short stacking energy: -49.210 Base-Backbone interact. energy: -0.012 local terms energy: -52.701819 where: bonds (distance) C4'-P energy: -10.405 bonds (distance) P-C4' energy: -13.691 flat angles C4'-P-C4' energy: -14.024 flat angles P-C4'-P energy: -9.301 tors. eta vs tors. theta energy: -5.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -114.153085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.153085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.153085 (E_RNA) where: Base-Base interactions energy: -65.703 where: short stacking energy: -35.382 Base-Backbone interact. energy: -0.168 local terms energy: -48.282351 where: bonds (distance) C4'-P energy: -12.927 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -8.765 flat angles P-C4'-P energy: -5.697 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: 7, replica: 2 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -91.026083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.026083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.026083 (E_RNA) where: Base-Base interactions energy: -36.122 where: short stacking energy: -36.122 Base-Backbone interact. energy: -0.075 local terms energy: -54.829206 where: bonds (distance) C4'-P energy: -13.241 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -8.468 flat angles P-C4'-P energy: -9.738 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: 8, replica: 9 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -87.058904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.058904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.058904 (E_RNA) where: Base-Base interactions energy: -42.489 where: short stacking energy: -37.065 Base-Backbone interact. energy: -0.439 local terms energy: -44.130906 where: bonds (distance) C4'-P energy: -6.376 bonds (distance) P-C4' energy: -13.706 flat angles C4'-P-C4' energy: -12.711 flat angles P-C4'-P energy: -7.975 tors. eta vs tors. theta energy: -3.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -93.484232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.484232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.484232 (E_RNA) where: Base-Base interactions energy: -45.613 where: short stacking energy: -27.858 Base-Backbone interact. energy: -0.909 local terms energy: -46.961629 where: bonds (distance) C4'-P energy: -13.965 bonds (distance) P-C4' energy: -9.110 flat angles C4'-P-C4' energy: -8.046 flat angles P-C4'-P energy: -11.111 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: 10, replica: 5 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -74.560019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.560019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.560019 (E_RNA) where: Base-Base interactions energy: -38.213 where: short stacking energy: -38.213 Base-Backbone interact. energy: -0.271 local terms energy: -36.076249 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -12.320 flat angles C4'-P-C4' energy: -8.908 flat angles P-C4'-P energy: -4.698 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: 1, replica: 8 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -158.923724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.923724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.923724 (E_RNA) where: Base-Base interactions energy: -94.602 where: short stacking energy: -63.633 Base-Backbone interact. energy: -0.020 local terms energy: -64.301671 where: bonds (distance) C4'-P energy: -10.968 bonds (distance) P-C4' energy: -14.127 flat angles C4'-P-C4' energy: -14.293 flat angles P-C4'-P energy: -9.483 tors. eta vs tors. theta energy: -15.430 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: 6 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -164.290251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.290251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.290251 (E_RNA) where: Base-Base interactions energy: -102.929 where: short stacking energy: -68.617 Base-Backbone interact. energy: -0.000 local terms energy: -61.360776 where: bonds (distance) C4'-P energy: -9.390 bonds (distance) P-C4' energy: -14.058 flat angles C4'-P-C4' energy: -13.324 flat angles P-C4'-P energy: -6.959 tors. eta vs tors. theta energy: -17.630 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: 7 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -148.663869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.663869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.663869 (E_RNA) where: Base-Base interactions energy: -83.195 where: short stacking energy: -51.903 Base-Backbone interact. energy: -0.027 local terms energy: -65.441881 where: bonds (distance) C4'-P energy: -13.163 bonds (distance) P-C4' energy: -16.218 flat angles C4'-P-C4' energy: -13.449 flat angles P-C4'-P energy: -9.981 tors. eta vs tors. theta energy: -12.631 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: 4, replica: 4 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -144.837105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.837105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.837105 (E_RNA) where: Base-Base interactions energy: -82.820 where: short stacking energy: -52.837 Base-Backbone interact. energy: -0.113 local terms energy: -61.904511 where: bonds (distance) C4'-P energy: -13.179 bonds (distance) P-C4' energy: -14.614 flat angles C4'-P-C4' energy: -13.380 flat angles P-C4'-P energy: -9.352 tors. eta vs tors. theta energy: -11.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -103.723958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.723958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.723958 (E_RNA) where: Base-Base interactions energy: -48.653 where: short stacking energy: -47.714 Base-Backbone interact. energy: -0.019 local terms energy: -55.052191 where: bonds (distance) C4'-P energy: -13.531 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -10.703 flat angles P-C4'-P energy: -8.130 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: 2 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -129.084596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.084596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.084596 (E_RNA) where: Base-Base interactions energy: -74.611 where: short stacking energy: -45.448 Base-Backbone interact. energy: 0.105 local terms energy: -54.579109 where: bonds (distance) C4'-P energy: -13.287 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -9.916 flat angles P-C4'-P energy: -8.092 tors. eta vs tors. theta energy: -8.163 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: 3 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -81.381374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.381374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.381374 (E_RNA) where: Base-Base interactions energy: -37.719 where: short stacking energy: -36.108 Base-Backbone interact. energy: -0.034 local terms energy: -43.628262 where: bonds (distance) C4'-P energy: -13.059 bonds (distance) P-C4' energy: -9.211 flat angles C4'-P-C4' energy: -11.051 flat angles P-C4'-P energy: -6.642 tors. eta vs tors. theta energy: -3.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -82.042237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.042237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.042237 (E_RNA) where: Base-Base interactions energy: -32.975 where: short stacking energy: -29.537 Base-Backbone interact. energy: -0.105 local terms energy: -48.962881 where: bonds (distance) C4'-P energy: -13.996 bonds (distance) P-C4' energy: -11.134 flat angles C4'-P-C4' energy: -9.114 flat angles P-C4'-P energy: -9.155 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: 9, replica: 9 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -79.277887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.277887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.277887 (E_RNA) where: Base-Base interactions energy: -31.451 where: short stacking energy: -16.964 Base-Backbone interact. energy: -0.082 local terms energy: -47.745544 where: bonds (distance) C4'-P energy: -12.872 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -12.194 flat angles P-C4'-P energy: -6.759 tors. eta vs tors. theta energy: -3.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -83.194735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.194735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.194735 (E_RNA) where: Base-Base interactions energy: -39.368 where: short stacking energy: -37.914 Base-Backbone interact. energy: -0.840 local terms energy: -42.987128 where: bonds (distance) C4'-P energy: -13.440 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.611 flat angles P-C4'-P energy: -6.707 tors. eta vs tors. theta energy: -5.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -166.171840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.171840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.171840 (E_RNA) where: Base-Base interactions energy: -101.816 where: short stacking energy: -63.081 Base-Backbone interact. energy: -0.005 local terms energy: -64.351389 where: bonds (distance) C4'-P energy: -13.088 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -14.178 flat angles P-C4'-P energy: -6.848 tors. eta vs tors. theta energy: -17.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -153.333973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.333973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.333973 (E_RNA) where: Base-Base interactions energy: -93.824 where: short stacking energy: -59.136 Base-Backbone interact. energy: -0.128 local terms energy: -59.381897 where: bonds (distance) C4'-P energy: -10.765 bonds (distance) P-C4' energy: -12.151 flat angles C4'-P-C4' energy: -14.741 flat angles P-C4'-P energy: -7.802 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: 3, replica: 4 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -135.947061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.947061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.947061 (E_RNA) where: Base-Base interactions energy: -83.053 where: short stacking energy: -50.216 Base-Backbone interact. energy: -0.007 local terms energy: -52.887186 where: bonds (distance) C4'-P energy: -11.262 bonds (distance) P-C4' energy: -12.891 flat angles C4'-P-C4' energy: -12.003 flat angles P-C4'-P energy: -6.554 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: 4, replica: 7 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -135.204081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.204081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.204081 (E_RNA) where: Base-Base interactions energy: -73.870 where: short stacking energy: -50.718 Base-Backbone interact. energy: -0.042 local terms energy: -61.292092 where: bonds (distance) C4'-P energy: -14.484 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -15.088 flat angles P-C4'-P energy: -8.818 tors. eta vs tors. theta energy: -7.594 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: 250 Temperature: 1.100000 Total energy: -131.429846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.429846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.429846 (E_RNA) where: Base-Base interactions energy: -78.302 where: short stacking energy: -47.977 Base-Backbone interact. energy: -0.728 local terms energy: -52.399605 where: bonds (distance) C4'-P energy: -9.503 bonds (distance) P-C4' energy: -10.882 flat angles C4'-P-C4' energy: -12.641 flat angles P-C4'-P energy: -9.427 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: 6, replica: 1 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -86.585757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.585757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.585757 (E_RNA) where: Base-Base interactions energy: -28.615 where: short stacking energy: -28.615 Base-Backbone interact. energy: -1.814 local terms energy: -56.157058 where: bonds (distance) C4'-P energy: -12.878 bonds (distance) P-C4' energy: -14.754 flat angles C4'-P-C4' energy: -11.110 flat angles P-C4'-P energy: -8.151 tors. eta vs tors. theta energy: -9.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -91.696570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.696570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.696570 (E_RNA) where: Base-Base interactions energy: -53.289 where: short stacking energy: -24.648 Base-Backbone interact. energy: -0.054 local terms energy: -38.352874 where: bonds (distance) C4'-P energy: -1.562 bonds (distance) P-C4' energy: -10.694 flat angles C4'-P-C4' energy: -14.246 flat angles P-C4'-P energy: -7.178 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: 3 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -97.865028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.865028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.865028 (E_RNA) where: Base-Base interactions energy: -42.716 where: short stacking energy: -39.066 Base-Backbone interact. energy: -0.904 local terms energy: -54.244696 where: bonds (distance) C4'-P energy: -13.143 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -11.311 flat angles P-C4'-P energy: -7.661 tors. eta vs tors. theta energy: -7.315 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: 5 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -80.236748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.236748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.236748 (E_RNA) where: Base-Base interactions energy: -28.108 where: short stacking energy: -28.108 Base-Backbone interact. energy: -0.013 local terms energy: -52.116267 where: bonds (distance) C4'-P energy: -12.797 bonds (distance) P-C4' energy: -12.737 flat angles C4'-P-C4' energy: -14.272 flat angles P-C4'-P energy: -8.581 tors. eta vs tors. theta energy: -3.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -83.661642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.661642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.661642 (E_RNA) where: Base-Base interactions energy: -39.131 where: short stacking energy: -35.573 Base-Backbone interact. energy: -0.311 local terms energy: -44.219632 where: bonds (distance) C4'-P energy: -11.937 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -6.605 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: 1, replica: 8 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -163.301077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.301077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.301077 (E_RNA) where: Base-Base interactions energy: -98.028 where: short stacking energy: -61.959 Base-Backbone interact. energy: -0.008 local terms energy: -65.265259 where: bonds (distance) C4'-P energy: -12.376 bonds (distance) P-C4' energy: -13.237 flat angles C4'-P-C4' energy: -13.606 flat angles P-C4'-P energy: -11.428 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: 2, replica: 4 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -145.121532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.121532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.121532 (E_RNA) where: Base-Base interactions energy: -83.963 where: short stacking energy: -52.490 Base-Backbone interact. energy: -0.220 local terms energy: -60.938444 where: bonds (distance) C4'-P energy: -12.969 bonds (distance) P-C4' energy: -14.195 flat angles C4'-P-C4' energy: -14.146 flat angles P-C4'-P energy: -9.931 tors. eta vs tors. theta energy: -9.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -153.302111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.302111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.302111 (E_RNA) where: Base-Base interactions energy: -97.093 where: short stacking energy: -60.307 Base-Backbone interact. energy: -0.116 local terms energy: -56.093800 where: bonds (distance) C4'-P energy: -10.204 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -9.820 flat angles P-C4'-P energy: -7.023 tors. eta vs tors. theta energy: -15.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -135.361850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.361850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.361850 (E_RNA) where: Base-Base interactions energy: -76.818 where: short stacking energy: -42.726 Base-Backbone interact. energy: -0.022 local terms energy: -58.521182 where: bonds (distance) C4'-P energy: -11.690 bonds (distance) P-C4' energy: -14.074 flat angles C4'-P-C4' energy: -14.310 flat angles P-C4'-P energy: -9.329 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: 5, replica: 7 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -142.867235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.867235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.867235 (E_RNA) where: Base-Base interactions energy: -81.227 where: short stacking energy: -56.664 Base-Backbone interact. energy: -0.007 local terms energy: -61.633252 where: bonds (distance) C4'-P energy: -14.309 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -13.209 flat angles P-C4'-P energy: -8.212 tors. eta vs tors. theta energy: -10.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -89.444650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.444650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.444650 (E_RNA) where: Base-Base interactions energy: -41.632 where: short stacking energy: -41.632 Base-Backbone interact. energy: -0.020 local terms energy: -47.792726 where: bonds (distance) C4'-P energy: -10.976 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -13.678 flat angles P-C4'-P energy: -2.870 tors. eta vs tors. theta energy: -6.743 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: 1 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -92.689557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.689557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.689557 (E_RNA) where: Base-Base interactions energy: -42.342 where: short stacking energy: -41.317 Base-Backbone interact. energy: -0.008 local terms energy: -50.339742 where: bonds (distance) C4'-P energy: -8.506 bonds (distance) P-C4' energy: -13.839 flat angles C4'-P-C4' energy: -13.830 flat angles P-C4'-P energy: -9.115 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: 3 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -89.235234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.235234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.235234 (E_RNA) where: Base-Base interactions energy: -45.116 where: short stacking energy: -33.590 Base-Backbone interact. energy: -0.411 local terms energy: -43.708052 where: bonds (distance) C4'-P energy: -9.694 bonds (distance) P-C4' energy: -14.669 flat angles C4'-P-C4' energy: -9.515 flat angles P-C4'-P energy: -9.476 tors. eta vs tors. theta energy: -0.354 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: 5 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -84.354905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.354905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.354905 (E_RNA) where: Base-Base interactions energy: -38.464 where: short stacking energy: -31.800 Base-Backbone interact. energy: -0.081 local terms energy: -45.810065 where: bonds (distance) C4'-P energy: -14.645 bonds (distance) P-C4' energy: -9.291 flat angles C4'-P-C4' energy: -11.035 flat angles P-C4'-P energy: -9.680 tors. eta vs tors. theta energy: -1.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -69.609864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.609864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.609864 (E_RNA) where: Base-Base interactions energy: -29.275 where: short stacking energy: -29.275 Base-Backbone interact. energy: -0.109 local terms energy: -40.225502 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -12.391 flat angles P-C4'-P energy: -9.648 tors. eta vs tors. theta energy: -5.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -162.948594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.948594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.948594 (E_RNA) where: Base-Base interactions energy: -97.171 where: short stacking energy: -63.143 Base-Backbone interact. energy: -0.079 local terms energy: -65.697950 where: bonds (distance) C4'-P energy: -13.569 bonds (distance) P-C4' energy: -14.015 flat angles C4'-P-C4' energy: -10.444 flat angles P-C4'-P energy: -11.114 tors. eta vs tors. theta energy: -16.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -158.962547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.962547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.962547 (E_RNA) where: Base-Base interactions energy: -106.364 where: short stacking energy: -64.845 Base-Backbone interact. energy: -0.042 local terms energy: -52.557164 where: bonds (distance) C4'-P energy: -10.629 bonds (distance) P-C4' energy: -8.081 flat angles C4'-P-C4' energy: -13.211 flat angles P-C4'-P energy: -5.585 tors. eta vs tors. theta energy: -15.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -147.317389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.317389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.317389 (E_RNA) where: Base-Base interactions energy: -88.025 where: short stacking energy: -51.274 Base-Backbone interact. energy: -0.010 local terms energy: -59.282076 where: bonds (distance) C4'-P energy: -13.535 bonds (distance) P-C4' energy: -13.811 flat angles C4'-P-C4' energy: -13.303 flat angles P-C4'-P energy: -8.390 tors. eta vs tors. theta energy: -10.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -141.586745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.586745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.586745 (E_RNA) where: Base-Base interactions energy: -83.876 where: short stacking energy: -53.538 Base-Backbone interact. energy: -0.136 local terms energy: -57.573967 where: bonds (distance) C4'-P energy: -14.868 bonds (distance) P-C4' energy: -14.911 flat angles C4'-P-C4' energy: -12.045 flat angles P-C4'-P energy: -9.537 tors. eta vs tors. theta energy: -6.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -135.375661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.375661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.375661 (E_RNA) where: Base-Base interactions energy: -89.721 where: short stacking energy: -43.108 Base-Backbone interact. energy: 1.978 local terms energy: -47.632803 where: bonds (distance) C4'-P energy: -12.993 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -9.541 flat angles P-C4'-P energy: -8.039 tors. eta vs tors. theta energy: -3.081 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: 6, replica: 10 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -89.878219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.878219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.878219 (E_RNA) where: Base-Base interactions energy: -33.946 where: short stacking energy: -33.946 Base-Backbone interact. energy: -0.060 local terms energy: -55.872329 where: bonds (distance) C4'-P energy: -14.673 bonds (distance) P-C4' energy: -14.037 flat angles C4'-P-C4' energy: -14.096 flat angles P-C4'-P energy: -8.569 tors. eta vs tors. theta energy: -4.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -89.938447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.938447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.938447 (E_RNA) where: Base-Base interactions energy: -42.869 where: short stacking energy: -42.869 Base-Backbone interact. energy: -0.175 local terms energy: -46.893844 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -14.267 flat angles C4'-P-C4' energy: -11.448 flat angles P-C4'-P energy: -8.386 tors. eta vs tors. theta energy: -7.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -123.960956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.960956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.960956 (E_RNA) where: Base-Base interactions energy: -58.852 where: short stacking energy: -56.685 Base-Backbone interact. energy: -0.000 local terms energy: -65.108451 where: bonds (distance) C4'-P energy: -13.312 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -11.546 flat angles P-C4'-P energy: -9.729 tors. eta vs tors. theta energy: -17.887 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: 9 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -74.854607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.854607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.854607 (E_RNA) where: Base-Base interactions energy: -33.318 where: short stacking energy: -26.296 Base-Backbone interact. energy: -0.177 local terms energy: -41.359735 where: bonds (distance) C4'-P energy: -10.381 bonds (distance) P-C4' energy: -11.193 flat angles C4'-P-C4' energy: -12.679 flat angles P-C4'-P energy: -5.737 tors. eta vs tors. theta energy: -1.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -78.864450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.864450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.864450 (E_RNA) where: Base-Base interactions energy: -37.908 where: short stacking energy: -35.751 Base-Backbone interact. energy: -0.119 local terms energy: -40.838084 where: bonds (distance) C4'-P energy: -6.414 bonds (distance) P-C4' energy: -5.969 flat angles C4'-P-C4' energy: -11.253 flat angles P-C4'-P energy: -9.472 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: 1, replica: 8 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -163.189391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.189391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.189391 (E_RNA) where: Base-Base interactions energy: -95.224 where: short stacking energy: -61.068 Base-Backbone interact. energy: -0.073 local terms energy: -67.892616 where: bonds (distance) C4'-P energy: -13.572 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -14.025 flat angles P-C4'-P energy: -8.148 tors. eta vs tors. theta energy: -17.551 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: 6 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -160.913044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.913044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.913044 (E_RNA) where: Base-Base interactions energy: -98.857 where: short stacking energy: -61.013 Base-Backbone interact. energy: 0.351 local terms energy: -62.407669 where: bonds (distance) C4'-P energy: -15.473 bonds (distance) P-C4' energy: -10.893 flat angles C4'-P-C4' energy: -13.932 flat angles P-C4'-P energy: -5.504 tors. eta vs tors. theta energy: -16.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -144.879058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.879058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.879058 (E_RNA) where: Base-Base interactions energy: -92.126 where: short stacking energy: -56.062 Base-Backbone interact. energy: -0.010 local terms energy: -52.742714 where: bonds (distance) C4'-P energy: -13.493 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -8.787 flat angles P-C4'-P energy: -8.253 tors. eta vs tors. theta energy: -14.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -135.706593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.706593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.706593 (E_RNA) where: Base-Base interactions energy: -78.278 where: short stacking energy: -44.730 Base-Backbone interact. energy: -0.050 local terms energy: -57.378713 where: bonds (distance) C4'-P energy: -13.269 bonds (distance) P-C4' energy: -14.730 flat angles C4'-P-C4' energy: -12.474 flat angles P-C4'-P energy: -8.482 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: 5, replica: 2 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -141.042727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.042727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.042727 (E_RNA) where: Base-Base interactions energy: -88.962 where: short stacking energy: -51.352 Base-Backbone interact. energy: 0.595 local terms energy: -52.675729 where: bonds (distance) C4'-P energy: -7.167 bonds (distance) P-C4' energy: -13.653 flat angles C4'-P-C4' energy: -10.498 flat angles P-C4'-P energy: -8.398 tors. eta vs tors. theta energy: -12.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -90.440303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.440303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.440303 (E_RNA) where: Base-Base interactions energy: -39.336 where: short stacking energy: -31.694 Base-Backbone interact. energy: -0.118 local terms energy: -50.986243 where: bonds (distance) C4'-P energy: -12.197 bonds (distance) P-C4' energy: -13.067 flat angles C4'-P-C4' energy: -14.006 flat angles P-C4'-P energy: -8.753 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: 7, replica: 3 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -82.133744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.133744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.133744 (E_RNA) where: Base-Base interactions energy: -42.254 where: short stacking energy: -35.620 Base-Backbone interact. energy: -0.694 local terms energy: -39.185346 where: bonds (distance) C4'-P energy: -10.277 bonds (distance) P-C4' energy: -11.462 flat angles C4'-P-C4' energy: -10.216 flat angles P-C4'-P energy: -6.251 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: 8, replica: 9 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -82.436370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.436370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.436370 (E_RNA) where: Base-Base interactions energy: -33.501 where: short stacking energy: -28.810 Base-Backbone interact. energy: -0.618 local terms energy: -48.318030 where: bonds (distance) C4'-P energy: -13.419 bonds (distance) P-C4' energy: -9.666 flat angles C4'-P-C4' energy: -12.988 flat angles P-C4'-P energy: -9.102 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: 9, replica: 1 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -79.659032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.659032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.659032 (E_RNA) where: Base-Base interactions energy: -33.422 where: short stacking energy: -33.422 Base-Backbone interact. energy: -0.130 local terms energy: -46.106808 where: bonds (distance) C4'-P energy: -10.791 bonds (distance) P-C4' energy: -8.390 flat angles C4'-P-C4' energy: -8.878 flat angles P-C4'-P energy: -7.367 tors. eta vs tors. theta energy: -10.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -75.679056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.679056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.679056 (E_RNA) where: Base-Base interactions energy: -30.928 where: short stacking energy: -24.740 Base-Backbone interact. energy: -0.438 local terms energy: -44.313148 where: bonds (distance) C4'-P energy: -12.176 bonds (distance) P-C4' energy: -3.898 flat angles C4'-P-C4' energy: -11.582 flat angles P-C4'-P energy: -9.224 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: 1, replica: 6 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -154.986440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.986440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.986440 (E_RNA) where: Base-Base interactions energy: -93.083 where: short stacking energy: -58.910 Base-Backbone interact. energy: -0.068 local terms energy: -61.835475 where: bonds (distance) C4'-P energy: -11.705 bonds (distance) P-C4' energy: -15.231 flat angles C4'-P-C4' energy: -16.046 flat angles P-C4'-P energy: -7.362 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: 2, replica: 8 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -151.407539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.407539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.407539 (E_RNA) where: Base-Base interactions energy: -91.462 where: short stacking energy: -55.572 Base-Backbone interact. energy: -0.001 local terms energy: -59.945123 where: bonds (distance) C4'-P energy: -15.265 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -11.408 flat angles P-C4'-P energy: -7.367 tors. eta vs tors. theta energy: -11.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -146.786608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.786608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.786608 (E_RNA) where: Base-Base interactions energy: -84.345 where: short stacking energy: -54.841 Base-Backbone interact. energy: -0.007 local terms energy: -62.434478 where: bonds (distance) C4'-P energy: -12.810 bonds (distance) P-C4' energy: -12.909 flat angles C4'-P-C4' energy: -14.104 flat angles P-C4'-P energy: -8.952 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: 4, replica: 4 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -151.225298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.225298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.225298 (E_RNA) where: Base-Base interactions energy: -87.132 where: short stacking energy: -52.724 Base-Backbone interact. energy: -0.121 local terms energy: -63.972526 where: bonds (distance) C4'-P energy: -14.298 bonds (distance) P-C4' energy: -14.995 flat angles C4'-P-C4' energy: -11.152 flat angles P-C4'-P energy: -8.188 tors. eta vs tors. theta energy: -15.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -102.537687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.537687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.537687 (E_RNA) where: Base-Base interactions energy: -41.978 where: short stacking energy: -41.978 Base-Backbone interact. energy: -0.002 local terms energy: -60.557170 where: bonds (distance) C4'-P energy: -9.114 bonds (distance) P-C4' energy: -16.439 flat angles C4'-P-C4' energy: -12.050 flat angles P-C4'-P energy: -9.408 tors. eta vs tors. theta energy: -13.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -132.996137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.996137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.996137 (E_RNA) where: Base-Base interactions energy: -71.495 where: short stacking energy: -43.167 Base-Backbone interact. energy: -0.001 local terms energy: -61.500148 where: bonds (distance) C4'-P energy: -10.840 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -15.103 flat angles P-C4'-P energy: -8.885 tors. eta vs tors. theta energy: -12.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -102.381306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.381306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.381306 (E_RNA) where: Base-Base interactions energy: -48.480 where: short stacking energy: -43.532 Base-Backbone interact. energy: -0.009 local terms energy: -53.893108 where: bonds (distance) C4'-P energy: -13.025 bonds (distance) P-C4' energy: -12.455 flat angles C4'-P-C4' energy: -11.185 flat angles P-C4'-P energy: -9.493 tors. eta vs tors. theta energy: -7.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -86.835968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.835968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.835968 (E_RNA) where: Base-Base interactions energy: -48.582 where: short stacking energy: -48.582 Base-Backbone interact. energy: -0.084 local terms energy: -38.169850 where: bonds (distance) C4'-P energy: -8.878 bonds (distance) P-C4' energy: -11.619 flat angles C4'-P-C4' energy: -8.887 flat angles P-C4'-P energy: -0.352 tors. eta vs tors. theta energy: -8.434 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: 254 Temperature: 1.300000 Total energy: -97.579605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.579605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.579605 (E_RNA) where: Base-Base interactions energy: -57.269 where: short stacking energy: -35.623 Base-Backbone interact. energy: -0.199 local terms energy: -40.111192 where: bonds (distance) C4'-P energy: -12.578 bonds (distance) P-C4' energy: -10.344 flat angles C4'-P-C4' energy: -2.763 flat angles P-C4'-P energy: -8.794 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: 10, replica: 1 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -78.318722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.318722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.318722 (E_RNA) where: Base-Base interactions energy: -30.847 where: short stacking energy: -30.847 Base-Backbone interact. energy: -0.137 local terms energy: -47.335124 where: bonds (distance) C4'-P energy: -9.867 bonds (distance) P-C4' energy: -9.681 flat angles C4'-P-C4' energy: -11.019 flat angles P-C4'-P energy: -10.698 tors. eta vs tors. theta energy: -6.070 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: 1, replica: 6 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -151.145479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.145479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.145479 (E_RNA) where: Base-Base interactions energy: -94.694 where: short stacking energy: -53.439 Base-Backbone interact. energy: -0.455 local terms energy: -55.996913 where: bonds (distance) C4'-P energy: -12.207 bonds (distance) P-C4' energy: -12.830 flat angles C4'-P-C4' energy: -15.100 flat angles P-C4'-P energy: -9.014 tors. eta vs tors. theta energy: -6.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -151.071529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.071529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.071529 (E_RNA) where: Base-Base interactions energy: -90.034 where: short stacking energy: -61.352 Base-Backbone interact. energy: -0.069 local terms energy: -60.968811 where: bonds (distance) C4'-P energy: -13.019 bonds (distance) P-C4' energy: -11.066 flat angles C4'-P-C4' energy: -14.136 flat angles P-C4'-P energy: -6.112 tors. eta vs tors. theta energy: -16.637 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: 3, replica: 8 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -141.747536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.747536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.747536 (E_RNA) where: Base-Base interactions energy: -87.829 where: short stacking energy: -48.623 Base-Backbone interact. energy: 0.209 local terms energy: -54.127376 where: bonds (distance) C4'-P energy: -7.697 bonds (distance) P-C4' energy: -12.529 flat angles C4'-P-C4' energy: -14.876 flat angles P-C4'-P energy: -8.467 tors. eta vs tors. theta energy: -10.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -136.532164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.532164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.532164 (E_RNA) where: Base-Base interactions energy: -90.802 where: short stacking energy: -52.843 Base-Backbone interact. energy: -0.001 local terms energy: -45.728998 where: bonds (distance) C4'-P energy: -9.582 bonds (distance) P-C4' energy: -10.088 flat angles C4'-P-C4' energy: -10.391 flat angles P-C4'-P energy: -4.924 tors. eta vs tors. theta energy: -10.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -96.131603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.131603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.131603 (E_RNA) where: Base-Base interactions energy: -47.464 where: short stacking energy: -47.464 Base-Backbone interact. energy: -0.031 local terms energy: -48.637507 where: bonds (distance) C4'-P energy: -13.642 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -7.618 flat angles P-C4'-P energy: -7.273 tors. eta vs tors. theta energy: -6.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -145.057686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.057686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.057686 (E_RNA) where: Base-Base interactions energy: -84.129 where: short stacking energy: -48.750 Base-Backbone interact. energy: -0.058 local terms energy: -60.870416 where: bonds (distance) C4'-P energy: -10.409 bonds (distance) P-C4' energy: -12.922 flat angles C4'-P-C4' energy: -12.569 flat angles P-C4'-P energy: -13.541 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: 7, replica: 9 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -92.455137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.455137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.455137 (E_RNA) where: Base-Base interactions energy: -41.779 where: short stacking energy: -34.612 Base-Backbone interact. energy: -0.364 local terms energy: -50.312247 where: bonds (distance) C4'-P energy: -12.182 bonds (distance) P-C4' energy: -12.354 flat angles C4'-P-C4' energy: -10.426 flat angles P-C4'-P energy: -12.354 tors. eta vs tors. theta energy: -2.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -89.051443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.051443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.051443 (E_RNA) where: Base-Base interactions energy: -39.300 where: short stacking energy: -39.300 Base-Backbone interact. energy: -0.064 local terms energy: -49.688009 where: bonds (distance) C4'-P energy: -10.468 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -14.164 flat angles P-C4'-P energy: -7.125 tors. eta vs tors. theta energy: -3.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -79.180939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.180939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.180939 (E_RNA) where: Base-Base interactions energy: -34.784 where: short stacking energy: -30.121 Base-Backbone interact. energy: -0.103 local terms energy: -44.293984 where: bonds (distance) C4'-P energy: -11.246 bonds (distance) P-C4' energy: -12.461 flat angles C4'-P-C4' energy: -12.932 flat angles P-C4'-P energy: -7.183 tors. eta vs tors. theta energy: -0.471 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: 1 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -71.036416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.036416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.036416 (E_RNA) where: Base-Base interactions energy: -26.586 where: short stacking energy: -24.265 Base-Backbone interact. energy: -0.088 local terms energy: -44.362629 where: bonds (distance) C4'-P energy: -8.305 bonds (distance) P-C4' energy: -11.599 flat angles C4'-P-C4' energy: -13.137 flat angles P-C4'-P energy: -8.249 tors. eta vs tors. theta energy: -3.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -162.179684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.179684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.179684 (E_RNA) where: Base-Base interactions energy: -97.791 where: short stacking energy: -64.595 Base-Backbone interact. energy: -0.097 local terms energy: -64.291416 where: bonds (distance) C4'-P energy: -13.453 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -13.494 flat angles P-C4'-P energy: -10.572 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: 6 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -157.361454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.361454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.361454 (E_RNA) where: Base-Base interactions energy: -95.292 where: short stacking energy: -57.970 Base-Backbone interact. energy: -0.052 local terms energy: -62.017209 where: bonds (distance) C4'-P energy: -13.999 bonds (distance) P-C4' energy: -14.320 flat angles C4'-P-C4' energy: -13.328 flat angles P-C4'-P energy: -11.026 tors. eta vs tors. theta energy: -9.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -135.106993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.106993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.106993 (E_RNA) where: Base-Base interactions energy: -80.056 where: short stacking energy: -49.493 Base-Backbone interact. energy: -0.105 local terms energy: -54.946517 where: bonds (distance) C4'-P energy: -13.258 bonds (distance) P-C4' energy: -15.710 flat angles C4'-P-C4' energy: -13.071 flat angles P-C4'-P energy: -5.996 tors. eta vs tors. theta energy: -6.912 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: 4, replica: 8 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -132.009939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.009939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.009939 (E_RNA) where: Base-Base interactions energy: -81.636 where: short stacking energy: -51.840 Base-Backbone interact. energy: 2.386 local terms energy: -52.760640 where: bonds (distance) C4'-P energy: -10.514 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -14.998 flat angles P-C4'-P energy: -7.563 tors. eta vs tors. theta energy: -10.766 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: 2 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -144.119399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.119399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.119399 (E_RNA) where: Base-Base interactions energy: -91.332 where: short stacking energy: -46.612 Base-Backbone interact. energy: -0.030 local terms energy: -52.756969 where: bonds (distance) C4'-P energy: -12.293 bonds (distance) P-C4' energy: -8.642 flat angles C4'-P-C4' energy: -11.783 flat angles P-C4'-P energy: -9.472 tors. eta vs tors. theta energy: -10.567 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: 10 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -101.489860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.489860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.489860 (E_RNA) where: Base-Base interactions energy: -45.193 where: short stacking energy: -45.193 Base-Backbone interact. energy: -0.014 local terms energy: -56.282827 where: bonds (distance) C4'-P energy: -14.947 bonds (distance) P-C4' energy: -12.477 flat angles C4'-P-C4' energy: -12.453 flat angles P-C4'-P energy: -8.091 tors. eta vs tors. theta energy: -8.314 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: 9 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -103.186445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.186445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.186445 (E_RNA) where: Base-Base interactions energy: -51.589 where: short stacking energy: -45.630 Base-Backbone interact. energy: -0.000 local terms energy: -51.596746 where: bonds (distance) C4'-P energy: -12.815 bonds (distance) P-C4' energy: -4.271 flat angles C4'-P-C4' energy: -15.207 flat angles P-C4'-P energy: -9.368 tors. eta vs tors. theta energy: -9.936 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: 8, replica: 5 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -78.700997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.700997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.700997 (E_RNA) where: Base-Base interactions energy: -30.842 where: short stacking energy: -29.100 Base-Backbone interact. energy: -0.016 local terms energy: -47.842270 where: bonds (distance) C4'-P energy: -11.234 bonds (distance) P-C4' energy: -11.630 flat angles C4'-P-C4' energy: -13.949 flat angles P-C4'-P energy: -5.590 tors. eta vs tors. theta energy: -5.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -83.298348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.298348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.298348 (E_RNA) where: Base-Base interactions energy: -36.399 where: short stacking energy: -36.399 Base-Backbone interact. energy: -0.029 local terms energy: -46.870622 where: bonds (distance) C4'-P energy: -9.630 bonds (distance) P-C4' energy: -10.946 flat angles C4'-P-C4' energy: -11.260 flat angles P-C4'-P energy: -9.595 tors. eta vs tors. theta energy: -5.439 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: 256 Temperature: 1.350000 Total energy: -77.264352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.264352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.264352 (E_RNA) where: Base-Base interactions energy: -29.953 where: short stacking energy: -26.604 Base-Backbone interact. energy: -0.053 local terms energy: -47.258194 where: bonds (distance) C4'-P energy: -12.513 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -10.985 flat angles P-C4'-P energy: -7.091 tors. eta vs tors. theta energy: -1.361 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: 7 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -161.886441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.886441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.886441 (E_RNA) where: Base-Base interactions energy: -96.458 where: short stacking energy: -65.849 Base-Backbone interact. energy: -0.007 local terms energy: -65.421906 where: bonds (distance) C4'-P energy: -12.140 bonds (distance) P-C4' energy: -15.175 flat angles C4'-P-C4' energy: -14.450 flat angles P-C4'-P energy: -9.385 tors. eta vs tors. theta energy: -14.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -157.821190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.821190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.821190 (E_RNA) where: Base-Base interactions energy: -95.261 where: short stacking energy: -60.809 Base-Backbone interact. energy: -0.041 local terms energy: -62.519307 where: bonds (distance) C4'-P energy: -10.294 bonds (distance) P-C4' energy: -14.036 flat angles C4'-P-C4' energy: -15.543 flat angles P-C4'-P energy: -9.391 tors. eta vs tors. theta energy: -13.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -134.993902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.993902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.993902 (E_RNA) where: Base-Base interactions energy: -75.823 where: short stacking energy: -47.825 Base-Backbone interact. energy: -0.206 local terms energy: -58.964940 where: bonds (distance) C4'-P energy: -11.758 bonds (distance) P-C4' energy: -13.490 flat angles C4'-P-C4' energy: -13.346 flat angles P-C4'-P energy: -8.976 tors. eta vs tors. theta energy: -11.395 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: 8 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -149.647943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.647943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.647943 (E_RNA) where: Base-Base interactions energy: -82.518 where: short stacking energy: -51.365 Base-Backbone interact. energy: -0.408 local terms energy: -66.722468 where: bonds (distance) C4'-P energy: -14.273 bonds (distance) P-C4' energy: -12.363 flat angles C4'-P-C4' energy: -14.997 flat angles P-C4'-P energy: -11.588 tors. eta vs tors. theta energy: -13.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -145.538529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.538529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.538529 (E_RNA) where: Base-Base interactions energy: -82.769 where: short stacking energy: -57.878 Base-Backbone interact. energy: -0.005 local terms energy: -62.764308 where: bonds (distance) C4'-P energy: -9.369 bonds (distance) P-C4' energy: -13.420 flat angles C4'-P-C4' energy: -13.933 flat angles P-C4'-P energy: -10.356 tors. eta vs tors. theta energy: -15.686 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: 6, replica: 10 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -100.024587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.024587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.024587 (E_RNA) where: Base-Base interactions energy: -48.201 where: short stacking energy: -44.116 Base-Backbone interact. energy: -0.173 local terms energy: -51.650402 where: bonds (distance) C4'-P energy: -12.575 bonds (distance) P-C4' energy: -12.343 flat angles C4'-P-C4' energy: -13.626 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -8.498 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: 9 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -92.003704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.003704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.003704 (E_RNA) where: Base-Base interactions energy: -44.617 where: short stacking energy: -36.555 Base-Backbone interact. energy: -0.539 local terms energy: -46.847407 where: bonds (distance) C4'-P energy: -8.717 bonds (distance) P-C4' energy: -12.467 flat angles C4'-P-C4' energy: -12.394 flat angles P-C4'-P energy: -6.576 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: 8, replica: 3 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -79.004111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.004111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.004111 (E_RNA) where: Base-Base interactions energy: -36.117 where: short stacking energy: -30.711 Base-Backbone interact. energy: -0.129 local terms energy: -42.757973 where: bonds (distance) C4'-P energy: -13.224 bonds (distance) P-C4' energy: -15.112 flat angles C4'-P-C4' energy: -9.709 flat angles P-C4'-P energy: -1.477 tors. eta vs tors. theta energy: -3.236 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: 5 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -82.230547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.230547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.230547 (E_RNA) where: Base-Base interactions energy: -43.775 where: short stacking energy: -38.299 Base-Backbone interact. energy: -0.068 local terms energy: -38.387441 where: bonds (distance) C4'-P energy: -9.606 bonds (distance) P-C4' energy: -10.418 flat angles C4'-P-C4' energy: -8.644 flat angles P-C4'-P energy: -5.499 tors. eta vs tors. theta energy: -4.221 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: 1 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -87.241069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.241069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.241069 (E_RNA) where: Base-Base interactions energy: -42.323 where: short stacking energy: -25.667 Base-Backbone interact. energy: -0.128 local terms energy: -44.790732 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -14.032 flat angles C4'-P-C4' energy: -11.970 flat angles P-C4'-P energy: -4.444 tors. eta vs tors. theta energy: -6.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -147.692601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.692601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.692601 (E_RNA) where: Base-Base interactions energy: -89.598 where: short stacking energy: -56.353 Base-Backbone interact. energy: -0.009 local terms energy: -58.085839 where: bonds (distance) C4'-P energy: -12.521 bonds (distance) P-C4' energy: -11.523 flat angles C4'-P-C4' energy: -14.419 flat angles P-C4'-P energy: -7.887 tors. eta vs tors. theta energy: -11.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -152.054662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.054662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.054662 (E_RNA) where: Base-Base interactions energy: -94.072 where: short stacking energy: -53.764 Base-Backbone interact. energy: 1.487 local terms energy: -59.470173 where: bonds (distance) C4'-P energy: -12.869 bonds (distance) P-C4' energy: -16.419 flat angles C4'-P-C4' energy: -11.686 flat angles P-C4'-P energy: -9.717 tors. eta vs tors. theta energy: -8.779 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: 3, replica: 8 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -144.662310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.662310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.662310 (E_RNA) where: Base-Base interactions energy: -83.029 where: short stacking energy: -52.243 Base-Backbone interact. energy: -0.029 local terms energy: -61.604270 where: bonds (distance) C4'-P energy: -14.069 bonds (distance) P-C4' energy: -12.377 flat angles C4'-P-C4' energy: -14.710 flat angles P-C4'-P energy: -7.663 tors. eta vs tors. theta energy: -12.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -153.035598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.035598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.035598 (E_RNA) where: Base-Base interactions energy: -92.162 where: short stacking energy: -56.846 Base-Backbone interact. energy: -0.829 local terms energy: -60.045380 where: bonds (distance) C4'-P energy: -12.558 bonds (distance) P-C4' energy: -11.661 flat angles C4'-P-C4' energy: -12.172 flat angles P-C4'-P energy: -8.777 tors. eta vs tors. theta energy: -14.878 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: 5, replica: 2 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -136.368616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.368616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.368616 (E_RNA) where: Base-Base interactions energy: -84.571 where: short stacking energy: -50.271 Base-Backbone interact. energy: 0.557 local terms energy: -52.354760 where: bonds (distance) C4'-P energy: -11.159 bonds (distance) P-C4' energy: -9.175 flat angles C4'-P-C4' energy: -11.570 flat angles P-C4'-P energy: -8.883 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: 6, replica: 10 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -101.246455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.246455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.246455 (E_RNA) where: Base-Base interactions energy: -49.260 where: short stacking energy: -37.531 Base-Backbone interact. energy: -1.030 local terms energy: -50.956993 where: bonds (distance) C4'-P energy: -11.192 bonds (distance) P-C4' energy: -11.748 flat angles C4'-P-C4' energy: -13.765 flat angles P-C4'-P energy: -6.870 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: 7, replica: 9 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -92.962124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.962124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.962124 (E_RNA) where: Base-Base interactions energy: -40.967 where: short stacking energy: -37.208 Base-Backbone interact. energy: -1.064 local terms energy: -50.930575 where: bonds (distance) C4'-P energy: -10.642 bonds (distance) P-C4' energy: -11.476 flat angles C4'-P-C4' energy: -12.417 flat angles P-C4'-P energy: -8.764 tors. eta vs tors. theta energy: -7.632 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: 3 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -77.537117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.537117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.537117 (E_RNA) where: Base-Base interactions energy: -35.093 where: short stacking energy: -31.384 Base-Backbone interact. energy: -0.023 local terms energy: -42.420322 where: bonds (distance) C4'-P energy: -9.073 bonds (distance) P-C4' energy: -12.457 flat angles C4'-P-C4' energy: -10.599 flat angles P-C4'-P energy: -6.446 tors. eta vs tors. theta energy: -3.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -88.763504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.763504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.763504 (E_RNA) where: Base-Base interactions energy: -37.715 where: short stacking energy: -36.149 Base-Backbone interact. energy: -0.048 local terms energy: -51.001172 where: bonds (distance) C4'-P energy: -7.039 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -10.969 flat angles P-C4'-P energy: -10.230 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: 10, replica: 5 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -95.627094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.627094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.627094 (E_RNA) where: Base-Base interactions energy: -48.328 where: short stacking energy: -46.150 Base-Backbone interact. energy: -0.040 local terms energy: -47.258928 where: bonds (distance) C4'-P energy: -9.035 bonds (distance) P-C4' energy: -12.173 flat angles C4'-P-C4' energy: -9.343 flat angles P-C4'-P energy: -7.651 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: 1, replica: 4 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -144.191795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.191795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.191795 (E_RNA) where: Base-Base interactions energy: -86.576 where: short stacking energy: -56.038 Base-Backbone interact. energy: -0.031 local terms energy: -57.585656 where: bonds (distance) C4'-P energy: -13.285 bonds (distance) P-C4' energy: -14.103 flat angles C4'-P-C4' energy: -13.740 flat angles P-C4'-P energy: -8.679 tors. eta vs tors. theta energy: -7.778 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: 2, replica: 8 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -156.706063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.706063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.706063 (E_RNA) where: Base-Base interactions energy: -94.882 where: short stacking energy: -61.240 Base-Backbone interact. energy: -0.055 local terms energy: -61.769372 where: bonds (distance) C4'-P energy: -11.892 bonds (distance) P-C4' energy: -14.670 flat angles C4'-P-C4' energy: -13.837 flat angles P-C4'-P energy: -7.303 tors. eta vs tors. theta energy: -14.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -150.651462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.651462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.651462 (E_RNA) where: Base-Base interactions energy: -99.548 where: short stacking energy: -61.447 Base-Backbone interact. energy: 5.840 local terms energy: -56.943375 where: bonds (distance) C4'-P energy: -10.994 bonds (distance) P-C4' energy: -11.113 flat angles C4'-P-C4' energy: -9.793 flat angles P-C4'-P energy: -12.035 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: 6 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -153.147902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.147902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.147902 (E_RNA) where: Base-Base interactions energy: -91.724 where: short stacking energy: -54.126 Base-Backbone interact. energy: -0.323 local terms energy: -61.101121 where: bonds (distance) C4'-P energy: -11.222 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -14.344 flat angles P-C4'-P energy: -10.607 tors. eta vs tors. theta energy: -10.486 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: 5, replica: 2 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -135.709002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.709002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.709002 (E_RNA) where: Base-Base interactions energy: -85.016 where: short stacking energy: -53.164 Base-Backbone interact. energy: -0.473 local terms energy: -50.219935 where: bonds (distance) C4'-P energy: -11.634 bonds (distance) P-C4' energy: -11.961 flat angles C4'-P-C4' energy: -10.837 flat angles P-C4'-P energy: -8.407 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: 6, replica: 9 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -87.661312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.661312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.661312 (E_RNA) where: Base-Base interactions energy: -40.464 where: short stacking energy: -40.318 Base-Backbone interact. energy: -0.006 local terms energy: -47.191819 where: bonds (distance) C4'-P energy: -10.092 bonds (distance) P-C4' energy: -11.771 flat angles C4'-P-C4' energy: -13.705 flat angles P-C4'-P energy: -6.503 tors. eta vs tors. theta energy: -5.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -107.372129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.372129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.372129 (E_RNA) where: Base-Base interactions energy: -51.852 where: short stacking energy: -47.184 Base-Backbone interact. energy: -0.041 local terms energy: -55.479067 where: bonds (distance) C4'-P energy: -12.197 bonds (distance) P-C4' energy: -13.572 flat angles C4'-P-C4' energy: -13.318 flat angles P-C4'-P energy: -7.744 tors. eta vs tors. theta energy: -8.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -81.061015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.061015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.061015 (E_RNA) where: Base-Base interactions energy: -40.467 where: short stacking energy: -26.308 Base-Backbone interact. energy: -0.967 local terms energy: -39.627574 where: bonds (distance) C4'-P energy: -10.531 bonds (distance) P-C4' energy: -13.227 flat angles C4'-P-C4' energy: -7.933 flat angles P-C4'-P energy: -6.909 tors. eta vs tors. theta energy: -1.027 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: 9, replica: 3 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -80.809397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.809397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.809397 (E_RNA) where: Base-Base interactions energy: -35.984 where: short stacking energy: -35.555 Base-Backbone interact. energy: -0.037 local terms energy: -44.787715 where: bonds (distance) C4'-P energy: -9.912 bonds (distance) P-C4' energy: -9.479 flat angles C4'-P-C4' energy: -12.399 flat angles P-C4'-P energy: -9.129 tors. eta vs tors. theta energy: -3.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -72.110225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.110225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.110225 (E_RNA) where: Base-Base interactions energy: -29.938 where: short stacking energy: -30.115 Base-Backbone interact. energy: -0.163 local terms energy: -42.009778 where: bonds (distance) C4'-P energy: -12.240 bonds (distance) P-C4' energy: -8.456 flat angles C4'-P-C4' energy: -14.215 flat angles P-C4'-P energy: -5.656 tors. eta vs tors. theta energy: -1.442 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: 8 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -154.646728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.646728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.646728 (E_RNA) where: Base-Base interactions energy: -89.660 where: short stacking energy: -62.944 Base-Backbone interact. energy: -0.048 local terms energy: -64.939347 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -15.083 flat angles C4'-P-C4' energy: -13.003 flat angles P-C4'-P energy: -9.816 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: 2, replica: 4 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -142.203115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.203115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.203115 (E_RNA) where: Base-Base interactions energy: -81.805 where: short stacking energy: -50.788 Base-Backbone interact. energy: -0.193 local terms energy: -60.205180 where: bonds (distance) C4'-P energy: -12.348 bonds (distance) P-C4' energy: -15.296 flat angles C4'-P-C4' energy: -14.487 flat angles P-C4'-P energy: -6.149 tors. eta vs tors. theta energy: -11.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -152.634793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.634793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.634793 (E_RNA) where: Base-Base interactions energy: -96.408 where: short stacking energy: -60.490 Base-Backbone interact. energy: 0.038 local terms energy: -56.265284 where: bonds (distance) C4'-P energy: -13.552 bonds (distance) P-C4' energy: -8.471 flat angles C4'-P-C4' energy: -12.521 flat angles P-C4'-P energy: -9.731 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: 4, replica: 7 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -150.940178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.940178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.940178 (E_RNA) where: Base-Base interactions energy: -96.224 where: short stacking energy: -53.036 Base-Backbone interact. energy: -0.116 local terms energy: -54.599865 where: bonds (distance) C4'-P energy: -13.523 bonds (distance) P-C4' energy: -11.598 flat angles C4'-P-C4' energy: -10.556 flat angles P-C4'-P energy: -7.154 tors. eta vs tors. theta energy: -11.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -131.408566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.408566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.408566 (E_RNA) where: Base-Base interactions energy: -73.696 where: short stacking energy: -46.894 Base-Backbone interact. energy: -0.028 local terms energy: -57.684416 where: bonds (distance) C4'-P energy: -12.712 bonds (distance) P-C4' energy: -11.654 flat angles C4'-P-C4' energy: -11.725 flat angles P-C4'-P energy: -10.466 tors. eta vs tors. theta energy: -11.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -99.923618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.923618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.923618 (E_RNA) where: Base-Base interactions energy: -54.164 where: short stacking energy: -38.351 Base-Backbone interact. energy: -0.051 local terms energy: -45.708863 where: bonds (distance) C4'-P energy: -10.753 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -8.558 flat angles P-C4'-P energy: -7.215 tors. eta vs tors. theta energy: -5.393 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: 7, replica: 10 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -111.331834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.331834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.331834 (E_RNA) where: Base-Base interactions energy: -65.831 where: short stacking energy: -41.214 Base-Backbone interact. energy: 0.221 local terms energy: -45.721273 where: bonds (distance) C4'-P energy: -9.767 bonds (distance) P-C4' energy: -12.714 flat angles C4'-P-C4' energy: -13.065 flat angles P-C4'-P energy: -7.282 tors. eta vs tors. theta energy: -2.894 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: 8, replica: 1 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -74.545220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.545220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.545220 (E_RNA) where: Base-Base interactions energy: -30.730 where: short stacking energy: -23.569 Base-Backbone interact. energy: 0.182 local terms energy: -43.996951 where: bonds (distance) C4'-P energy: -15.063 bonds (distance) P-C4' energy: -10.164 flat angles C4'-P-C4' energy: -11.076 flat angles P-C4'-P energy: -6.857 tors. eta vs tors. theta energy: -0.838 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: 5 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -85.514105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.514105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.514105 (E_RNA) where: Base-Base interactions energy: -35.538 where: short stacking energy: -35.458 Base-Backbone interact. energy: -0.289 local terms energy: -49.687237 where: bonds (distance) C4'-P energy: -13.295 bonds (distance) P-C4' energy: -7.693 flat angles C4'-P-C4' energy: -14.774 flat angles P-C4'-P energy: -7.433 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: 10, replica: 3 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -75.361031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.361031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.361031 (E_RNA) where: Base-Base interactions energy: -37.829 where: short stacking energy: -32.421 Base-Backbone interact. energy: -0.012 local terms energy: -37.519047 where: bonds (distance) C4'-P energy: -11.345 bonds (distance) P-C4' energy: -10.074 flat angles C4'-P-C4' energy: -8.825 flat angles P-C4'-P energy: -5.485 tors. eta vs tors. theta energy: -1.790 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: 8 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -153.870151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.870151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.870151 (E_RNA) where: Base-Base interactions energy: -94.342 where: short stacking energy: -58.645 Base-Backbone interact. energy: -0.065 local terms energy: -59.462621 where: bonds (distance) C4'-P energy: -11.812 bonds (distance) P-C4' energy: -11.423 flat angles C4'-P-C4' energy: -14.156 flat angles P-C4'-P energy: -9.838 tors. eta vs tors. theta energy: -12.234 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: 6 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -174.061246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.061246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.061246 (E_RNA) where: Base-Base interactions energy: -107.785 where: short stacking energy: -63.778 Base-Backbone interact. energy: -0.001 local terms energy: -66.274822 where: bonds (distance) C4'-P energy: -12.836 bonds (distance) P-C4' energy: -14.508 flat angles C4'-P-C4' energy: -14.311 flat angles P-C4'-P energy: -8.519 tors. eta vs tors. theta energy: -16.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -135.513124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.513124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.513124 (E_RNA) where: Base-Base interactions energy: -77.896 where: short stacking energy: -43.649 Base-Backbone interact. energy: -0.434 local terms energy: -57.183255 where: bonds (distance) C4'-P energy: -12.496 bonds (distance) P-C4' energy: -15.256 flat angles C4'-P-C4' energy: -14.654 flat angles P-C4'-P energy: -6.955 tors. eta vs tors. theta energy: -7.822 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: 261 Temperature: 1.050000 Total energy: -126.663658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.663658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.663658 (E_RNA) where: Base-Base interactions energy: -64.806 where: short stacking energy: -54.146 Base-Backbone interact. energy: 1.213 local terms energy: -63.070906 where: bonds (distance) C4'-P energy: -12.045 bonds (distance) P-C4' energy: -14.790 flat angles C4'-P-C4' energy: -14.494 flat angles P-C4'-P energy: -8.979 tors. eta vs tors. theta energy: -12.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -131.645721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.645721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.645721 (E_RNA) where: Base-Base interactions energy: -75.148 where: short stacking energy: -48.772 Base-Backbone interact. energy: -0.474 local terms energy: -56.023625 where: bonds (distance) C4'-P energy: -14.967 bonds (distance) P-C4' energy: -13.472 flat angles C4'-P-C4' energy: -12.103 flat angles P-C4'-P energy: -8.521 tors. eta vs tors. theta energy: -6.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -121.817694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.817694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.817694 (E_RNA) where: Base-Base interactions energy: -71.793 where: short stacking energy: -42.959 Base-Backbone interact. energy: -0.167 local terms energy: -49.857749 where: bonds (distance) C4'-P energy: -11.412 bonds (distance) P-C4' energy: -11.033 flat angles C4'-P-C4' energy: -11.971 flat angles P-C4'-P energy: -5.008 tors. eta vs tors. theta energy: -10.434 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: 261 Temperature: 1.200000 Total energy: -79.185136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.185136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.185136 (E_RNA) where: Base-Base interactions energy: -33.716 where: short stacking energy: -33.716 Base-Backbone interact. energy: -0.904 local terms energy: -44.564962 where: bonds (distance) C4'-P energy: -10.571 bonds (distance) P-C4' energy: -13.944 flat angles C4'-P-C4' energy: -7.181 flat angles P-C4'-P energy: -6.288 tors. eta vs tors. theta energy: -6.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -86.598459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.598459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.598459 (E_RNA) where: Base-Base interactions energy: -37.296 where: short stacking energy: -29.152 Base-Backbone interact. energy: -0.092 local terms energy: -49.210776 where: bonds (distance) C4'-P energy: -11.167 bonds (distance) P-C4' energy: -13.207 flat angles C4'-P-C4' energy: -14.290 flat angles P-C4'-P energy: -7.830 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: 9, replica: 1 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -84.851486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.851486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.851486 (E_RNA) where: Base-Base interactions energy: -38.055 where: short stacking energy: -35.238 Base-Backbone interact. energy: -0.008 local terms energy: -46.789042 where: bonds (distance) C4'-P energy: -12.935 bonds (distance) P-C4' energy: -8.400 flat angles C4'-P-C4' energy: -12.128 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -9.513 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: 3 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -78.950675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.950675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.950675 (E_RNA) where: Base-Base interactions energy: -30.089 where: short stacking energy: -30.089 Base-Backbone interact. energy: -0.109 local terms energy: -48.753140 where: bonds (distance) C4'-P energy: -13.303 bonds (distance) P-C4' energy: -13.229 flat angles C4'-P-C4' energy: -12.540 flat angles P-C4'-P energy: -6.609 tors. eta vs tors. theta energy: -3.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -166.385129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.385129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.385129 (E_RNA) where: Base-Base interactions energy: -102.468 where: short stacking energy: -61.558 Base-Backbone interact. energy: 0.137 local terms energy: -64.054277 where: bonds (distance) C4'-P energy: -14.114 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -12.296 flat angles P-C4'-P energy: -9.358 tors. eta vs tors. theta energy: -12.978 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: 2, replica: 8 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -155.279239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.279239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.279239 (E_RNA) where: Base-Base interactions energy: -91.793 where: short stacking energy: -56.578 Base-Backbone interact. energy: -0.626 local terms energy: -62.860570 where: bonds (distance) C4'-P energy: -15.071 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -10.501 flat angles P-C4'-P energy: -9.723 tors. eta vs tors. theta energy: -13.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -137.418067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.418067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.418067 (E_RNA) where: Base-Base interactions energy: -75.471 where: short stacking energy: -61.993 Base-Backbone interact. energy: -1.841 local terms energy: -60.106443 where: bonds (distance) C4'-P energy: -9.686 bonds (distance) P-C4' energy: -12.891 flat angles C4'-P-C4' energy: -14.411 flat angles P-C4'-P energy: -7.080 tors. eta vs tors. theta energy: -16.039 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: 4, replica: 4 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -142.578080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.578080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.578080 (E_RNA) where: Base-Base interactions energy: -92.988 where: short stacking energy: -52.035 Base-Backbone interact. energy: -0.000 local terms energy: -49.589374 where: bonds (distance) C4'-P energy: -13.349 bonds (distance) P-C4' energy: -10.606 flat angles C4'-P-C4' energy: -6.906 flat angles P-C4'-P energy: -9.148 tors. eta vs tors. theta energy: -9.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -119.670702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.670702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.670702 (E_RNA) where: Base-Base interactions energy: -67.171 where: short stacking energy: -44.429 Base-Backbone interact. energy: -0.092 local terms energy: -52.407065 where: bonds (distance) C4'-P energy: -9.619 bonds (distance) P-C4' energy: -16.951 flat angles C4'-P-C4' energy: -8.493 flat angles P-C4'-P energy: -9.965 tors. eta vs tors. theta energy: -7.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -129.434863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.434863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.434863 (E_RNA) where: Base-Base interactions energy: -79.875 where: short stacking energy: -49.338 Base-Backbone interact. energy: -0.563 local terms energy: -48.996242 where: bonds (distance) C4'-P energy: -12.637 bonds (distance) P-C4' energy: -10.821 flat angles C4'-P-C4' energy: -10.487 flat angles P-C4'-P energy: -7.515 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: 7, replica: 9 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -89.066169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.066169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.066169 (E_RNA) where: Base-Base interactions energy: -47.986 where: short stacking energy: -40.638 Base-Backbone interact. energy: -0.115 local terms energy: -40.965252 where: bonds (distance) C4'-P energy: -9.506 bonds (distance) P-C4' energy: -10.487 flat angles C4'-P-C4' energy: -9.199 flat angles P-C4'-P energy: -6.069 tors. eta vs tors. theta energy: -5.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -84.486942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.486942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.486942 (E_RNA) where: Base-Base interactions energy: -46.912 where: short stacking energy: -39.671 Base-Backbone interact. energy: -0.147 local terms energy: -37.427872 where: bonds (distance) C4'-P energy: -11.606 bonds (distance) P-C4' energy: -8.946 flat angles C4'-P-C4' energy: -8.133 flat angles P-C4'-P energy: -3.692 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: 3 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -76.422944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.422944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.422944 (E_RNA) where: Base-Base interactions energy: -31.532 where: short stacking energy: -31.284 Base-Backbone interact. energy: -0.094 local terms energy: -44.797422 where: bonds (distance) C4'-P energy: -9.065 bonds (distance) P-C4' energy: -13.473 flat angles C4'-P-C4' energy: -11.532 flat angles P-C4'-P energy: -6.951 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: 1 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -80.904873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.904873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.904873 (E_RNA) where: Base-Base interactions energy: -41.014 where: short stacking energy: -39.446 Base-Backbone interact. energy: -0.060 local terms energy: -39.831083 where: bonds (distance) C4'-P energy: -11.216 bonds (distance) P-C4' energy: -9.499 flat angles C4'-P-C4' energy: -12.645 flat angles P-C4'-P energy: -3.358 tors. eta vs tors. theta energy: -3.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -161.709216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.709216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.709216 (E_RNA) where: Base-Base interactions energy: -98.731 where: short stacking energy: -56.527 Base-Backbone interact. energy: -0.020 local terms energy: -62.957997 where: bonds (distance) C4'-P energy: -14.251 bonds (distance) P-C4' energy: -15.094 flat angles C4'-P-C4' energy: -10.780 flat angles P-C4'-P energy: -6.333 tors. eta vs tors. theta energy: -16.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -149.850715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.850715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.850715 (E_RNA) where: Base-Base interactions energy: -88.981 where: short stacking energy: -58.584 Base-Backbone interact. energy: -0.441 local terms energy: -60.428401 where: bonds (distance) C4'-P energy: -14.740 bonds (distance) P-C4' energy: -10.165 flat angles C4'-P-C4' energy: -12.072 flat angles P-C4'-P energy: -9.073 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: 3, replica: 2 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -136.660206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.660206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.660206 (E_RNA) where: Base-Base interactions energy: -81.635 where: short stacking energy: -52.331 Base-Backbone interact. energy: -0.012 local terms energy: -55.013655 where: bonds (distance) C4'-P energy: -12.326 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -14.011 flat angles P-C4'-P energy: -5.684 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: 4, replica: 10 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -147.798752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.798752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.798752 (E_RNA) where: Base-Base interactions energy: -84.314 where: short stacking energy: -51.963 Base-Backbone interact. energy: -0.005 local terms energy: -63.479017 where: bonds (distance) C4'-P energy: -13.934 bonds (distance) P-C4' energy: -11.443 flat angles C4'-P-C4' energy: -13.567 flat angles P-C4'-P energy: -11.701 tors. eta vs tors. theta energy: -12.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -138.232570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.232570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.232570 (E_RNA) where: Base-Base interactions energy: -82.760 where: short stacking energy: -57.604 Base-Backbone interact. energy: 0.739 local terms energy: -56.211605 where: bonds (distance) C4'-P energy: -7.517 bonds (distance) P-C4' energy: -11.179 flat angles C4'-P-C4' energy: -13.615 flat angles P-C4'-P energy: -7.791 tors. eta vs tors. theta energy: -16.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -122.753148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.753148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.753148 (E_RNA) where: Base-Base interactions energy: -67.595 where: short stacking energy: -36.464 Base-Backbone interact. energy: 0.239 local terms energy: -55.397430 where: bonds (distance) C4'-P energy: -13.001 bonds (distance) P-C4' energy: -14.373 flat angles C4'-P-C4' energy: -14.370 flat angles P-C4'-P energy: -9.383 tors. eta vs tors. theta energy: -4.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -84.689211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.689211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.689211 (E_RNA) where: Base-Base interactions energy: -34.868 where: short stacking energy: -34.868 Base-Backbone interact. energy: -0.016 local terms energy: -49.805259 where: bonds (distance) C4'-P energy: -14.344 bonds (distance) P-C4' energy: -12.088 flat angles C4'-P-C4' energy: -10.765 flat angles P-C4'-P energy: -7.574 tors. eta vs tors. theta energy: -5.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -102.605111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.605111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.605111 (E_RNA) where: Base-Base interactions energy: -58.180 where: short stacking energy: -24.104 Base-Backbone interact. energy: -0.160 local terms energy: -44.264909 where: bonds (distance) C4'-P energy: -11.299 bonds (distance) P-C4' energy: -11.608 flat angles C4'-P-C4' energy: -14.427 flat angles P-C4'-P energy: -6.937 tors. eta vs tors. theta energy: 0.007 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: 5 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -90.374172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.374172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.374172 (E_RNA) where: Base-Base interactions energy: -39.290 where: short stacking energy: -37.774 Base-Backbone interact. energy: -0.019 local terms energy: -51.065227 where: bonds (distance) C4'-P energy: -9.234 bonds (distance) P-C4' energy: -12.175 flat angles C4'-P-C4' energy: -11.800 flat angles P-C4'-P energy: -8.799 tors. eta vs tors. theta energy: -9.056 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: 10, replica: 1 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -71.099667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.099667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.099667 (E_RNA) where: Base-Base interactions energy: -34.492 where: short stacking energy: -29.381 Base-Backbone interact. energy: -0.008 local terms energy: -36.599736 where: bonds (distance) C4'-P energy: -6.649 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -10.292 flat angles P-C4'-P energy: -9.154 tors. eta vs tors. theta energy: -4.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -165.743503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.743503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.743503 (E_RNA) where: Base-Base interactions energy: -97.491 where: short stacking energy: -63.310 Base-Backbone interact. energy: -0.172 local terms energy: -68.080367 where: bonds (distance) C4'-P energy: -14.414 bonds (distance) P-C4' energy: -11.330 flat angles C4'-P-C4' energy: -15.556 flat angles P-C4'-P energy: -11.269 tors. eta vs tors. theta energy: -15.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -151.630720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.630720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.630720 (E_RNA) where: Base-Base interactions energy: -90.303 where: short stacking energy: -58.454 Base-Backbone interact. energy: -0.125 local terms energy: -61.202695 where: bonds (distance) C4'-P energy: -13.933 bonds (distance) P-C4' energy: -14.081 flat angles C4'-P-C4' energy: -9.399 flat angles P-C4'-P energy: -10.038 tors. eta vs tors. theta energy: -13.752 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: 3, replica: 10 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -145.635498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.635498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.635498 (E_RNA) where: Base-Base interactions energy: -84.133 where: short stacking energy: -52.007 Base-Backbone interact. energy: 0.024 local terms energy: -61.527094 where: bonds (distance) C4'-P energy: -15.233 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -13.481 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -13.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -139.860094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.860094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.860094 (E_RNA) where: Base-Base interactions energy: -81.422 where: short stacking energy: -46.330 Base-Backbone interact. energy: -0.381 local terms energy: -58.057334 where: bonds (distance) C4'-P energy: -10.922 bonds (distance) P-C4' energy: -14.449 flat angles C4'-P-C4' energy: -11.874 flat angles P-C4'-P energy: -10.226 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: 5, replica: 4 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -145.073353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.073353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.073353 (E_RNA) where: Base-Base interactions energy: -89.466 where: short stacking energy: -52.316 Base-Backbone interact. energy: -0.123 local terms energy: -55.483773 where: bonds (distance) C4'-P energy: -8.894 bonds (distance) P-C4' energy: -10.809 flat angles C4'-P-C4' energy: -12.841 flat angles P-C4'-P energy: -11.334 tors. eta vs tors. theta energy: -11.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -119.735516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.735516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.735516 (E_RNA) where: Base-Base interactions energy: -67.339 where: short stacking energy: -35.241 Base-Backbone interact. energy: -0.010 local terms energy: -52.386279 where: bonds (distance) C4'-P energy: -12.294 bonds (distance) P-C4' energy: -10.315 flat angles C4'-P-C4' energy: -13.378 flat angles P-C4'-P energy: -7.099 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: 7, replica: 3 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -112.999682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.999682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.999682 (E_RNA) where: Base-Base interactions energy: -64.736 where: short stacking energy: -38.681 Base-Backbone interact. energy: -0.010 local terms energy: -48.253776 where: bonds (distance) C4'-P energy: -11.341 bonds (distance) P-C4' energy: -9.090 flat angles C4'-P-C4' energy: -14.736 flat angles P-C4'-P energy: -4.421 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: 8, replica: 9 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -99.607596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.607596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.607596 (E_RNA) where: Base-Base interactions energy: -51.244 where: short stacking energy: -34.587 Base-Backbone interact. energy: -0.189 local terms energy: -48.174048 where: bonds (distance) C4'-P energy: -12.686 bonds (distance) P-C4' energy: -13.268 flat angles C4'-P-C4' energy: -12.659 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -3.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -72.503945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.503945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.503945 (E_RNA) where: Base-Base interactions energy: -31.032 where: short stacking energy: -31.032 Base-Backbone interact. energy: -0.083 local terms energy: -41.388652 where: bonds (distance) C4'-P energy: -13.225 bonds (distance) P-C4' energy: -11.041 flat angles C4'-P-C4' energy: -8.609 flat angles P-C4'-P energy: -3.186 tors. eta vs tors. theta energy: -5.328 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: 5 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -68.425426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.425426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.425426 (E_RNA) where: Base-Base interactions energy: -35.849 where: short stacking energy: -30.581 Base-Backbone interact. energy: 0.416 local terms energy: -32.992255 where: bonds (distance) C4'-P energy: -12.094 bonds (distance) P-C4' energy: -4.193 flat angles C4'-P-C4' energy: -10.164 flat angles P-C4'-P energy: -6.687 tors. eta vs tors. theta energy: 0.145 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: 8 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -157.789118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.789118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.789118 (E_RNA) where: Base-Base interactions energy: -93.528 where: short stacking energy: -58.396 Base-Backbone interact. energy: 0.076 local terms energy: -64.337507 where: bonds (distance) C4'-P energy: -13.432 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -15.704 flat angles P-C4'-P energy: -8.195 tors. eta vs tors. theta energy: -13.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -145.279320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.279320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.279320 (E_RNA) where: Base-Base interactions energy: -88.188 where: short stacking energy: -54.140 Base-Backbone interact. energy: -0.102 local terms energy: -56.989111 where: bonds (distance) C4'-P energy: -10.985 bonds (distance) P-C4' energy: -15.415 flat angles C4'-P-C4' energy: -13.844 flat angles P-C4'-P energy: -4.583 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: 3, replica: 6 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -144.978175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.978175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.978175 (E_RNA) where: Base-Base interactions energy: -91.554 where: short stacking energy: -57.500 Base-Backbone interact. energy: 1.000 local terms energy: -54.424342 where: bonds (distance) C4'-P energy: -10.094 bonds (distance) P-C4' energy: -12.278 flat angles C4'-P-C4' energy: -11.600 flat angles P-C4'-P energy: -10.597 tors. eta vs tors. theta energy: -9.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -126.477991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.477991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.477991 (E_RNA) where: Base-Base interactions energy: -74.042 where: short stacking energy: -44.989 Base-Backbone interact. energy: -0.091 local terms energy: -52.345115 where: bonds (distance) C4'-P energy: -9.196 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -14.323 flat angles P-C4'-P energy: -7.154 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: 2 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -135.956036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.956036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.956036 (E_RNA) where: Base-Base interactions energy: -80.631 where: short stacking energy: -54.749 Base-Backbone interact. energy: -0.003 local terms energy: -55.321619 where: bonds (distance) C4'-P energy: -12.248 bonds (distance) P-C4' energy: -11.110 flat angles C4'-P-C4' energy: -12.301 flat angles P-C4'-P energy: -7.128 tors. eta vs tors. theta energy: -12.534 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: 6, replica: 3 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -121.994461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.994461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.994461 (E_RNA) where: Base-Base interactions energy: -76.009 where: short stacking energy: -46.264 Base-Backbone interact. energy: -0.114 local terms energy: -45.871256 where: bonds (distance) C4'-P energy: -8.633 bonds (distance) P-C4' energy: -12.929 flat angles C4'-P-C4' energy: -10.504 flat angles P-C4'-P energy: -4.779 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: 7, replica: 7 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -124.922653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.922653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.922653 (E_RNA) where: Base-Base interactions energy: -80.370 where: short stacking energy: -58.916 Base-Backbone interact. energy: -0.139 local terms energy: -44.413230 where: bonds (distance) C4'-P energy: -8.199 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -13.024 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -10.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -88.562145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.562145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.562145 (E_RNA) where: Base-Base interactions energy: -39.325 where: short stacking energy: -39.325 Base-Backbone interact. energy: -0.084 local terms energy: -49.152321 where: bonds (distance) C4'-P energy: -11.887 bonds (distance) P-C4' energy: -12.534 flat angles C4'-P-C4' energy: -11.016 flat angles P-C4'-P energy: -7.478 tors. eta vs tors. theta energy: -6.237 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: 265 Temperature: 1.300000 Total energy: -83.887463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.887463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.887463 (E_RNA) where: Base-Base interactions energy: -42.189 where: short stacking energy: -39.870 Base-Backbone interact. energy: -0.249 local terms energy: -41.448885 where: bonds (distance) C4'-P energy: -12.666 bonds (distance) P-C4' energy: -12.240 flat angles C4'-P-C4' energy: -10.196 flat angles P-C4'-P energy: -1.682 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: 10, replica: 5 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -82.655907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.655907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.655907 (E_RNA) where: Base-Base interactions energy: -40.073 where: short stacking energy: -40.073 Base-Backbone interact. energy: -0.003 local terms energy: -42.579704 where: bonds (distance) C4'-P energy: -9.842 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -10.060 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: 1, replica: 10 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -153.185181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.185181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.185181 (E_RNA) where: Base-Base interactions energy: -90.942 where: short stacking energy: -55.751 Base-Backbone interact. energy: -0.002 local terms energy: -62.241531 where: bonds (distance) C4'-P energy: -13.019 bonds (distance) P-C4' energy: -14.230 flat angles C4'-P-C4' energy: -14.284 flat angles P-C4'-P energy: -9.985 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: 2, replica: 8 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -155.382729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.382729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.382729 (E_RNA) where: Base-Base interactions energy: -86.473 where: short stacking energy: -60.835 Base-Backbone interact. energy: -0.005 local terms energy: -68.905502 where: bonds (distance) C4'-P energy: -15.340 bonds (distance) P-C4' energy: -16.274 flat angles C4'-P-C4' energy: -11.984 flat angles P-C4'-P energy: -13.041 tors. eta vs tors. theta energy: -12.266 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: 6 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -134.001545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.001545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.001545 (E_RNA) where: Base-Base interactions energy: -81.054 where: short stacking energy: -46.722 Base-Backbone interact. energy: -0.015 local terms energy: -52.933060 where: bonds (distance) C4'-P energy: -13.738 bonds (distance) P-C4' energy: -10.835 flat angles C4'-P-C4' energy: -11.658 flat angles P-C4'-P energy: -7.499 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: 4, replica: 4 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -137.322369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.322369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.322369 (E_RNA) where: Base-Base interactions energy: -80.430 where: short stacking energy: -49.078 Base-Backbone interact. energy: -0.023 local terms energy: -56.868751 where: bonds (distance) C4'-P energy: -13.212 bonds (distance) P-C4' energy: -13.677 flat angles C4'-P-C4' energy: -12.075 flat angles P-C4'-P energy: -4.782 tors. eta vs tors. theta energy: -13.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -125.831106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.831106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.831106 (E_RNA) where: Base-Base interactions energy: -72.797 where: short stacking energy: -42.553 Base-Backbone interact. energy: -0.159 local terms energy: -52.875957 where: bonds (distance) C4'-P energy: -11.412 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -12.014 flat angles P-C4'-P energy: -6.143 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: 6, replica: 2 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -131.588090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.588090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.588090 (E_RNA) where: Base-Base interactions energy: -78.915 where: short stacking energy: -43.252 Base-Backbone interact. energy: -0.045 local terms energy: -52.628601 where: bonds (distance) C4'-P energy: -12.994 bonds (distance) P-C4' energy: -12.929 flat angles C4'-P-C4' energy: -10.166 flat angles P-C4'-P energy: -5.204 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: 7, replica: 1 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -76.278583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.278583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.278583 (E_RNA) where: Base-Base interactions energy: -35.018 where: short stacking energy: -35.018 Base-Backbone interact. energy: -0.269 local terms energy: -40.991621 where: bonds (distance) C4'-P energy: -10.199 bonds (distance) P-C4' energy: -11.939 flat angles C4'-P-C4' energy: -12.756 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: -1.547 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: 7 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -111.062890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.062890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.062890 (E_RNA) where: Base-Base interactions energy: -70.349 where: short stacking energy: -37.698 Base-Backbone interact. energy: -0.832 local terms energy: -39.881970 where: bonds (distance) C4'-P energy: -11.570 bonds (distance) P-C4' energy: -11.989 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -5.717 tors. eta vs tors. theta energy: -3.700 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: 5 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -80.523390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.523390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.523390 (E_RNA) where: Base-Base interactions energy: -37.107 where: short stacking energy: -37.107 Base-Backbone interact. energy: -0.425 local terms energy: -42.992143 where: bonds (distance) C4'-P energy: -10.931 bonds (distance) P-C4' energy: -13.398 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -7.367 tors. eta vs tors. theta energy: -4.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -71.608946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.608946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.608946 (E_RNA) where: Base-Base interactions energy: -30.019 where: short stacking energy: -22.748 Base-Backbone interact. energy: -0.199 local terms energy: -41.390356 where: bonds (distance) C4'-P energy: -13.022 bonds (distance) P-C4' energy: -13.780 flat angles C4'-P-C4' energy: -13.049 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: 2.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -153.150182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.150182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.150182 (E_RNA) where: Base-Base interactions energy: -92.059 where: short stacking energy: -60.386 Base-Backbone interact. energy: -0.004 local terms energy: -61.086868 where: bonds (distance) C4'-P energy: -11.350 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -13.697 flat angles P-C4'-P energy: -7.332 tors. eta vs tors. theta energy: -13.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -148.346344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.346344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.346344 (E_RNA) where: Base-Base interactions energy: -86.012 where: short stacking energy: -59.516 Base-Backbone interact. energy: -0.034 local terms energy: -62.300727 where: bonds (distance) C4'-P energy: -8.418 bonds (distance) P-C4' energy: -15.014 flat angles C4'-P-C4' energy: -13.795 flat angles P-C4'-P energy: -11.395 tors. eta vs tors. theta energy: -13.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -139.557486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.557486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.557486 (E_RNA) where: Base-Base interactions energy: -80.410 where: short stacking energy: -50.786 Base-Backbone interact. energy: -0.052 local terms energy: -59.095795 where: bonds (distance) C4'-P energy: -12.798 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -10.896 flat angles P-C4'-P energy: -9.552 tors. eta vs tors. theta energy: -10.381 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: 4 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -143.681913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.681913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.681913 (E_RNA) where: Base-Base interactions energy: -85.051 where: short stacking energy: -59.523 Base-Backbone interact. energy: -0.000 local terms energy: -58.630988 where: bonds (distance) C4'-P energy: -12.636 bonds (distance) P-C4' energy: -12.843 flat angles C4'-P-C4' energy: -11.984 flat angles P-C4'-P energy: -11.188 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: 3 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -127.946659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.946659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.946659 (E_RNA) where: Base-Base interactions energy: -78.937 where: short stacking energy: -46.713 Base-Backbone interact. energy: -0.084 local terms energy: -48.925742 where: bonds (distance) C4'-P energy: -13.714 bonds (distance) P-C4' energy: -11.591 flat angles C4'-P-C4' energy: -8.438 flat angles P-C4'-P energy: -6.076 tors. eta vs tors. theta energy: -9.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -134.017396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.017396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.017396 (E_RNA) where: Base-Base interactions energy: -77.474 where: short stacking energy: -48.328 Base-Backbone interact. energy: -0.025 local terms energy: -56.518696 where: bonds (distance) C4'-P energy: -10.472 bonds (distance) P-C4' energy: -12.906 flat angles C4'-P-C4' energy: -13.800 flat angles P-C4'-P energy: -8.177 tors. eta vs tors. theta energy: -11.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -92.751669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.751669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.751669 (E_RNA) where: Base-Base interactions energy: -48.982 where: short stacking energy: -44.734 Base-Backbone interact. energy: -0.092 local terms energy: -43.677142 where: bonds (distance) C4'-P energy: -13.000 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -9.867 flat angles P-C4'-P energy: -8.856 tors. eta vs tors. theta energy: -6.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -79.944669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.944669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.944669 (E_RNA) where: Base-Base interactions energy: -43.447 where: short stacking energy: -34.145 Base-Backbone interact. energy: 2.855 local terms energy: -39.352284 where: bonds (distance) C4'-P energy: -3.839 bonds (distance) P-C4' energy: -12.415 flat angles C4'-P-C4' energy: -14.080 flat angles P-C4'-P energy: -8.701 tors. eta vs tors. theta energy: -0.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -72.031707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.031707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.031707 (E_RNA) where: Base-Base interactions energy: -31.596 where: short stacking energy: -19.842 Base-Backbone interact. energy: -0.321 local terms energy: -40.114527 where: bonds (distance) C4'-P energy: -10.596 bonds (distance) P-C4' energy: -14.241 flat angles C4'-P-C4' energy: -3.573 flat angles P-C4'-P energy: -8.900 tors. eta vs tors. theta energy: -2.805 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: 9 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -69.567471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.567471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.567471 (E_RNA) where: Base-Base interactions energy: -20.199 where: short stacking energy: -20.199 Base-Backbone interact. energy: -0.043 local terms energy: -49.325732 where: bonds (distance) C4'-P energy: -11.900 bonds (distance) P-C4' energy: -15.390 flat angles C4'-P-C4' energy: -12.473 flat angles P-C4'-P energy: -5.465 tors. eta vs tors. theta energy: -4.098 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: 8 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -154.702523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.702523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.702523 (E_RNA) where: Base-Base interactions energy: -94.672 where: short stacking energy: -59.388 Base-Backbone interact. energy: -0.001 local terms energy: -60.028798 where: bonds (distance) C4'-P energy: -12.393 bonds (distance) P-C4' energy: -11.881 flat angles C4'-P-C4' energy: -11.646 flat angles P-C4'-P energy: -9.159 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: 2, replica: 10 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -159.612484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.612484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.612484 (E_RNA) where: Base-Base interactions energy: -97.247 where: short stacking energy: -57.388 Base-Backbone interact. energy: -0.005 local terms energy: -62.361191 where: bonds (distance) C4'-P energy: -14.806 bonds (distance) P-C4' energy: -12.553 flat angles C4'-P-C4' energy: -12.956 flat angles P-C4'-P energy: -8.576 tors. eta vs tors. theta energy: -13.470 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: 4 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -140.632662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.632662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.632662 (E_RNA) where: Base-Base interactions energy: -84.841 where: short stacking energy: -49.918 Base-Backbone interact. energy: -0.101 local terms energy: -55.690569 where: bonds (distance) C4'-P energy: -11.825 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -11.941 flat angles P-C4'-P energy: -9.943 tors. eta vs tors. theta energy: -7.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -139.672362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.672362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.672362 (E_RNA) where: Base-Base interactions energy: -85.715 where: short stacking energy: -52.411 Base-Backbone interact. energy: 1.698 local terms energy: -55.655266 where: bonds (distance) C4'-P energy: -12.512 bonds (distance) P-C4' energy: -14.290 flat angles C4'-P-C4' energy: -13.607 flat angles P-C4'-P energy: -7.600 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: 5, replica: 2 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -127.099842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.099842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.099842 (E_RNA) where: Base-Base interactions energy: -79.550 where: short stacking energy: -46.438 Base-Backbone interact. energy: -0.687 local terms energy: -46.862432 where: bonds (distance) C4'-P energy: -11.441 bonds (distance) P-C4' energy: -13.022 flat angles C4'-P-C4' energy: -10.161 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: -7.039 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: 3 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -119.627039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.627039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.627039 (E_RNA) where: Base-Base interactions energy: -70.969 where: short stacking energy: -41.561 Base-Backbone interact. energy: 0.290 local terms energy: -48.947672 where: bonds (distance) C4'-P energy: -12.033 bonds (distance) P-C4' energy: -11.847 flat angles C4'-P-C4' energy: -12.695 flat angles P-C4'-P energy: -6.732 tors. eta vs tors. theta energy: -5.641 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: 5 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -97.098031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.098031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.098031 (E_RNA) where: Base-Base interactions energy: -50.158 where: short stacking energy: -36.086 Base-Backbone interact. energy: -0.135 local terms energy: -46.804317 where: bonds (distance) C4'-P energy: -13.187 bonds (distance) P-C4' energy: -12.261 flat angles C4'-P-C4' energy: -10.200 flat angles P-C4'-P energy: -9.520 tors. eta vs tors. theta energy: -1.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -75.477415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.477415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.477415 (E_RNA) where: Base-Base interactions energy: -34.083 where: short stacking energy: -34.031 Base-Backbone interact. energy: -0.089 local terms energy: -41.305567 where: bonds (distance) C4'-P energy: -8.075 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -9.987 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: -5.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -73.496200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.496200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.496200 (E_RNA) where: Base-Base interactions energy: -23.660 where: short stacking energy: -22.175 Base-Backbone interact. energy: -0.218 local terms energy: -49.618824 where: bonds (distance) C4'-P energy: -8.037 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -11.853 flat angles P-C4'-P energy: -8.139 tors. eta vs tors. theta energy: -5.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -92.983689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.983689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.983689 (E_RNA) where: Base-Base interactions energy: -47.630 where: short stacking energy: -33.621 Base-Backbone interact. energy: 0.131 local terms energy: -45.483952 where: bonds (distance) C4'-P energy: -11.415 bonds (distance) P-C4' energy: -12.160 flat angles C4'-P-C4' energy: -12.092 flat angles P-C4'-P energy: -5.065 tors. eta vs tors. theta energy: -4.753 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: 8 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -170.955311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.955311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.955311 (E_RNA) where: Base-Base interactions energy: -106.123 where: short stacking energy: -65.177 Base-Backbone interact. energy: -0.019 local terms energy: -64.813239 where: bonds (distance) C4'-P energy: -8.609 bonds (distance) P-C4' energy: -16.231 flat angles C4'-P-C4' energy: -14.414 flat angles P-C4'-P energy: -9.270 tors. eta vs tors. theta energy: -16.289 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: 269 Temperature: 0.950000 Total energy: -154.502652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.502652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.502652 (E_RNA) where: Base-Base interactions energy: -90.764 where: short stacking energy: -54.377 Base-Backbone interact. energy: -0.012 local terms energy: -63.727564 where: bonds (distance) C4'-P energy: -14.014 bonds (distance) P-C4' energy: -14.299 flat angles C4'-P-C4' energy: -13.824 flat angles P-C4'-P energy: -7.674 tors. eta vs tors. theta energy: -13.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -148.734751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.734751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.734751 (E_RNA) where: Base-Base interactions energy: -83.234 where: short stacking energy: -43.758 Base-Backbone interact. energy: -0.438 local terms energy: -65.062049 where: bonds (distance) C4'-P energy: -14.247 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -14.286 flat angles P-C4'-P energy: -11.499 tors. eta vs tors. theta energy: -10.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -129.178877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.178877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.178877 (E_RNA) where: Base-Base interactions energy: -74.364 where: short stacking energy: -40.685 Base-Backbone interact. energy: -0.065 local terms energy: -54.750239 where: bonds (distance) C4'-P energy: -14.111 bonds (distance) P-C4' energy: -13.969 flat angles C4'-P-C4' energy: -8.671 flat angles P-C4'-P energy: -6.986 tors. eta vs tors. theta energy: -11.013 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: 6 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -125.088102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.088102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.088102 (E_RNA) where: Base-Base interactions energy: -73.945 where: short stacking energy: -45.180 Base-Backbone interact. energy: -0.091 local terms energy: -51.052359 where: bonds (distance) C4'-P energy: -12.602 bonds (distance) P-C4' energy: -11.024 flat angles C4'-P-C4' energy: -9.909 flat angles P-C4'-P energy: -7.961 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: 6, replica: 3 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -123.945410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.945410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.945410 (E_RNA) where: Base-Base interactions energy: -73.711 where: short stacking energy: -41.838 Base-Backbone interact. energy: -0.091 local terms energy: -50.143333 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -13.001 flat angles P-C4'-P energy: -7.665 tors. eta vs tors. theta energy: -8.680 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: 5 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -91.054809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.054809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.054809 (E_RNA) where: Base-Base interactions energy: -46.941 where: short stacking energy: -43.113 Base-Backbone interact. energy: 0.549 local terms energy: -44.663291 where: bonds (distance) C4'-P energy: -11.043 bonds (distance) P-C4' energy: -11.468 flat angles C4'-P-C4' energy: -7.636 flat angles P-C4'-P energy: -7.070 tors. eta vs tors. theta energy: -7.447 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: 9 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -98.533431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.533431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.533431 (E_RNA) where: Base-Base interactions energy: -50.365 where: short stacking energy: -50.365 Base-Backbone interact. energy: -0.003 local terms energy: -48.165392 where: bonds (distance) C4'-P energy: -11.014 bonds (distance) P-C4' energy: -9.398 flat angles C4'-P-C4' energy: -11.237 flat angles P-C4'-P energy: -6.610 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: 9, replica: 1 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -76.936704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.936704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.936704 (E_RNA) where: Base-Base interactions energy: -30.435 where: short stacking energy: -29.812 Base-Backbone interact. energy: -0.169 local terms energy: -46.332754 where: bonds (distance) C4'-P energy: -11.796 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -7.889 flat angles P-C4'-P energy: -9.538 tors. eta vs tors. theta energy: -2.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -78.868354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.868354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.868354 (E_RNA) where: Base-Base interactions energy: -39.114 where: short stacking energy: -29.281 Base-Backbone interact. energy: -0.228 local terms energy: -39.526427 where: bonds (distance) C4'-P energy: -8.339 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -11.458 tors. eta vs tors. theta energy: 0.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -157.365855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.365855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.365855 (E_RNA) where: Base-Base interactions energy: -97.782 where: short stacking energy: -59.476 Base-Backbone interact. energy: -0.342 local terms energy: -59.241655 where: bonds (distance) C4'-P energy: -9.044 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -13.171 flat angles P-C4'-P energy: -10.609 tors. eta vs tors. theta energy: -12.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -144.538354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.538354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.538354 (E_RNA) where: Base-Base interactions energy: -86.733 where: short stacking energy: -54.503 Base-Backbone interact. energy: -0.887 local terms energy: -56.917894 where: bonds (distance) C4'-P energy: -12.106 bonds (distance) P-C4' energy: -13.081 flat angles C4'-P-C4' energy: -13.786 flat angles P-C4'-P energy: -8.646 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: 3, replica: 2 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -153.719259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.719259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.719259 (E_RNA) where: Base-Base interactions energy: -96.921 where: short stacking energy: -66.078 Base-Backbone interact. energy: -0.011 local terms energy: -56.787351 where: bonds (distance) C4'-P energy: -10.754 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -13.615 flat angles P-C4'-P energy: -4.733 tors. eta vs tors. theta energy: -14.868 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: 10 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -144.560952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.560952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.560952 (E_RNA) where: Base-Base interactions energy: -90.092 where: short stacking energy: -50.032 Base-Backbone interact. energy: -0.678 local terms energy: -53.791320 where: bonds (distance) C4'-P energy: -8.519 bonds (distance) P-C4' energy: -14.139 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -9.839 tors. eta vs tors. theta energy: -12.973 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: 3 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -117.609462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.609462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.609462 (E_RNA) where: Base-Base interactions energy: -59.810 where: short stacking energy: -32.276 Base-Backbone interact. energy: -0.147 local terms energy: -57.653031 where: bonds (distance) C4'-P energy: -13.481 bonds (distance) P-C4' energy: -12.383 flat angles C4'-P-C4' energy: -14.305 flat angles P-C4'-P energy: -9.859 tors. eta vs tors. theta energy: -7.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -129.155929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.155929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.155929 (E_RNA) where: Base-Base interactions energy: -80.521 where: short stacking energy: -50.471 Base-Backbone interact. energy: -0.044 local terms energy: -48.590929 where: bonds (distance) C4'-P energy: -11.974 bonds (distance) P-C4' energy: -12.915 flat angles C4'-P-C4' energy: -11.319 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -8.211 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: 9 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -89.022138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.022138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.022138 (E_RNA) where: Base-Base interactions energy: -40.015 where: short stacking energy: -40.015 Base-Backbone interact. energy: -0.012 local terms energy: -48.994834 where: bonds (distance) C4'-P energy: -12.729 bonds (distance) P-C4' energy: -12.255 flat angles C4'-P-C4' energy: -14.278 flat angles P-C4'-P energy: -1.584 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: 8, replica: 5 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -95.451319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.451319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.451319 (E_RNA) where: Base-Base interactions energy: -43.233 where: short stacking energy: -40.667 Base-Backbone interact. energy: -0.003 local terms energy: -52.214411 where: bonds (distance) C4'-P energy: -12.881 bonds (distance) P-C4' energy: -9.005 flat angles C4'-P-C4' energy: -11.172 flat angles P-C4'-P energy: -9.953 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: 9, replica: 1 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -71.210153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.210153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.210153 (E_RNA) where: Base-Base interactions energy: -28.604 where: short stacking energy: -22.361 Base-Backbone interact. energy: 0.429 local terms energy: -43.034952 where: bonds (distance) C4'-P energy: -12.557 bonds (distance) P-C4' energy: -10.994 flat angles C4'-P-C4' energy: -11.494 flat angles P-C4'-P energy: -7.313 tors. eta vs tors. theta energy: -0.677 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: 7 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -79.048849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.048849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.048849 (E_RNA) where: Base-Base interactions energy: -39.453 where: short stacking energy: -30.499 Base-Backbone interact. energy: 0.403 local terms energy: -39.998635 where: bonds (distance) C4'-P energy: -5.954 bonds (distance) P-C4' energy: -12.214 flat angles C4'-P-C4' energy: -10.222 flat angles P-C4'-P energy: -7.034 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: 1, replica: 8 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -156.657137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.657137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.657137 (E_RNA) where: Base-Base interactions energy: -95.049 where: short stacking energy: -51.355 Base-Backbone interact. energy: -0.058 local terms energy: -61.550187 where: bonds (distance) C4'-P energy: -12.185 bonds (distance) P-C4' energy: -12.022 flat angles C4'-P-C4' energy: -13.599 flat angles P-C4'-P energy: -10.290 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: 2 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -152.047218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.047218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.047218 (E_RNA) where: Base-Base interactions energy: -94.341 where: short stacking energy: -54.721 Base-Backbone interact. energy: -0.153 local terms energy: -57.552747 where: bonds (distance) C4'-P energy: -12.761 bonds (distance) P-C4' energy: -12.775 flat angles C4'-P-C4' energy: -14.135 flat angles P-C4'-P energy: -6.932 tors. eta vs tors. theta energy: -10.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -145.142332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.142332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.142332 (E_RNA) where: Base-Base interactions energy: -84.779 where: short stacking energy: -57.549 Base-Backbone interact. energy: -0.139 local terms energy: -60.223916 where: bonds (distance) C4'-P energy: -13.055 bonds (distance) P-C4' energy: -10.456 flat angles C4'-P-C4' energy: -14.319 flat angles P-C4'-P energy: -8.036 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: 4, replica: 10 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -124.621909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.621909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.621909 (E_RNA) where: Base-Base interactions energy: -76.207 where: short stacking energy: -46.437 Base-Backbone interact. energy: -0.234 local terms energy: -48.180692 where: bonds (distance) C4'-P energy: -9.130 bonds (distance) P-C4' energy: -12.331 flat angles C4'-P-C4' energy: -15.004 flat angles P-C4'-P energy: -4.951 tors. eta vs tors. theta energy: -6.764 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: 3 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -128.130637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.130637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.130637 (E_RNA) where: Base-Base interactions energy: -75.389 where: short stacking energy: -41.551 Base-Backbone interact. energy: -0.096 local terms energy: -52.645427 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -9.697 flat angles C4'-P-C4' energy: -10.609 flat angles P-C4'-P energy: -7.590 tors. eta vs tors. theta energy: -10.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -121.454529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.454529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.454529 (E_RNA) where: Base-Base interactions energy: -65.922 where: short stacking energy: -42.717 Base-Backbone interact. energy: 0.024 local terms energy: -55.556656 where: bonds (distance) C4'-P energy: -13.915 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -11.174 flat angles P-C4'-P energy: -9.190 tors. eta vs tors. theta energy: -7.939 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: 271 Temperature: 1.200000 Total energy: -81.191828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.191828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.191828 (E_RNA) where: Base-Base interactions energy: -36.897 where: short stacking energy: -36.897 Base-Backbone interact. energy: 0.547 local terms energy: -44.842141 where: bonds (distance) C4'-P energy: -7.826 bonds (distance) P-C4' energy: -10.249 flat angles C4'-P-C4' energy: -14.214 flat angles P-C4'-P energy: -8.039 tors. eta vs tors. theta energy: -4.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -77.961674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.961674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.961674 (E_RNA) where: Base-Base interactions energy: -30.397 where: short stacking energy: -30.397 Base-Backbone interact. energy: -0.014 local terms energy: -47.550782 where: bonds (distance) C4'-P energy: -11.238 bonds (distance) P-C4' energy: -12.243 flat angles C4'-P-C4' energy: -11.322 flat angles P-C4'-P energy: -6.812 tors. eta vs tors. theta energy: -5.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -80.621413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.621413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.621413 (E_RNA) where: Base-Base interactions energy: -31.518 where: short stacking energy: -27.336 Base-Backbone interact. energy: -0.283 local terms energy: -48.820875 where: bonds (distance) C4'-P energy: -11.176 bonds (distance) P-C4' energy: -12.787 flat angles C4'-P-C4' energy: -12.894 flat angles P-C4'-P energy: -5.274 tors. eta vs tors. theta energy: -6.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -77.821954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.821954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.821954 (E_RNA) where: Base-Base interactions energy: -46.896 where: short stacking energy: -25.688 Base-Backbone interact. energy: -0.115 local terms energy: -30.810606 where: bonds (distance) C4'-P energy: -7.165 bonds (distance) P-C4' energy: -10.023 flat angles C4'-P-C4' energy: -5.702 flat angles P-C4'-P energy: -7.598 tors. eta vs tors. theta energy: -0.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -164.727963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.727963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.727963 (E_RNA) where: Base-Base interactions energy: -96.901 where: short stacking energy: -64.176 Base-Backbone interact. energy: -0.621 local terms energy: -67.206141 where: bonds (distance) C4'-P energy: -13.614 bonds (distance) P-C4' energy: -13.234 flat angles C4'-P-C4' energy: -15.301 flat angles P-C4'-P energy: -9.911 tors. eta vs tors. theta energy: -15.146 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: 8 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -160.200083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.200083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.200083 (E_RNA) where: Base-Base interactions energy: -92.459 where: short stacking energy: -62.041 Base-Backbone interact. energy: -0.001 local terms energy: -67.739762 where: bonds (distance) C4'-P energy: -13.047 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -12.671 flat angles P-C4'-P energy: -11.601 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: 10 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -148.135639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.135639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.135639 (E_RNA) where: Base-Base interactions energy: -87.385 where: short stacking energy: -61.103 Base-Backbone interact. energy: -0.001 local terms energy: -60.749177 where: bonds (distance) C4'-P energy: -13.048 bonds (distance) P-C4' energy: -12.577 flat angles C4'-P-C4' energy: -13.882 flat angles P-C4'-P energy: -6.778 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: 4, replica: 4 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -139.018572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.018572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.018572 (E_RNA) where: Base-Base interactions energy: -84.586 where: short stacking energy: -59.548 Base-Backbone interact. energy: -0.009 local terms energy: -54.423411 where: bonds (distance) C4'-P energy: -11.362 bonds (distance) P-C4' energy: -10.649 flat angles C4'-P-C4' energy: -9.630 flat angles P-C4'-P energy: -5.957 tors. eta vs tors. theta energy: -16.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -142.288676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.288676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.288676 (E_RNA) where: Base-Base interactions energy: -85.870 where: short stacking energy: -55.091 Base-Backbone interact. energy: 0.057 local terms energy: -56.475989 where: bonds (distance) C4'-P energy: -10.224 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -13.892 flat angles P-C4'-P energy: -7.719 tors. eta vs tors. theta energy: -10.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -118.830048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.830048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.830048 (E_RNA) where: Base-Base interactions energy: -70.769 where: short stacking energy: -40.943 Base-Backbone interact. energy: -0.085 local terms energy: -47.976084 where: bonds (distance) C4'-P energy: -11.146 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -12.262 flat angles P-C4'-P energy: -7.324 tors. eta vs tors. theta energy: -2.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -86.591432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.591432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.591432 (E_RNA) where: Base-Base interactions energy: -37.066 where: short stacking energy: -35.348 Base-Backbone interact. energy: -0.005 local terms energy: -49.520357 where: bonds (distance) C4'-P energy: -12.264 bonds (distance) P-C4' energy: -11.713 flat angles C4'-P-C4' energy: -10.815 flat angles P-C4'-P energy: -6.204 tors. eta vs tors. theta energy: -8.525 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: 9 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -73.641242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.641242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.641242 (E_RNA) where: Base-Base interactions energy: -31.518 where: short stacking energy: -31.422 Base-Backbone interact. energy: 0.035 local terms energy: -42.159060 where: bonds (distance) C4'-P energy: -12.116 bonds (distance) P-C4' energy: -8.345 flat angles C4'-P-C4' energy: -10.758 flat angles P-C4'-P energy: -9.482 tors. eta vs tors. theta energy: -1.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -77.480892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.480892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.480892 (E_RNA) where: Base-Base interactions energy: -36.822 where: short stacking energy: -27.002 Base-Backbone interact. energy: -0.111 local terms energy: -40.547824 where: bonds (distance) C4'-P energy: -5.759 bonds (distance) P-C4' energy: -10.855 flat angles C4'-P-C4' energy: -13.370 flat angles P-C4'-P energy: -7.527 tors. eta vs tors. theta energy: -3.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -73.191927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.191927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.191927 (E_RNA) where: Base-Base interactions energy: -26.949 where: short stacking energy: -25.977 Base-Backbone interact. energy: -0.538 local terms energy: -45.705408 where: bonds (distance) C4'-P energy: -12.686 bonds (distance) P-C4' energy: -8.627 flat angles C4'-P-C4' energy: -14.353 flat angles P-C4'-P energy: -9.530 tors. eta vs tors. theta energy: -0.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -152.839773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.839773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.839773 (E_RNA) where: Base-Base interactions energy: -90.254 where: short stacking energy: -59.201 Base-Backbone interact. energy: -0.316 local terms energy: -62.270355 where: bonds (distance) C4'-P energy: -15.100 bonds (distance) P-C4' energy: -9.931 flat angles C4'-P-C4' energy: -13.958 flat angles P-C4'-P energy: -8.283 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: 2, replica: 8 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -154.386693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.386693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.386693 (E_RNA) where: Base-Base interactions energy: -100.541 where: short stacking energy: -59.140 Base-Backbone interact. energy: -0.091 local terms energy: -53.754333 where: bonds (distance) C4'-P energy: -10.712 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -12.497 flat angles P-C4'-P energy: -9.840 tors. eta vs tors. theta energy: -11.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -148.305141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.305141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.305141 (E_RNA) where: Base-Base interactions energy: -90.892 where: short stacking energy: -59.076 Base-Backbone interact. energy: -0.006 local terms energy: -57.407070 where: bonds (distance) C4'-P energy: -13.059 bonds (distance) P-C4' energy: -9.188 flat angles C4'-P-C4' energy: -11.528 flat angles P-C4'-P energy: -9.008 tors. eta vs tors. theta energy: -14.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -131.086368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.086368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.086368 (E_RNA) where: Base-Base interactions energy: -78.838 where: short stacking energy: -52.061 Base-Backbone interact. energy: -0.041 local terms energy: -52.208053 where: bonds (distance) C4'-P energy: -11.430 bonds (distance) P-C4' energy: -12.636 flat angles C4'-P-C4' energy: -11.341 flat angles P-C4'-P energy: -4.391 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: 5, replica: 4 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -133.053341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.053341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.053341 (E_RNA) where: Base-Base interactions energy: -78.743 where: short stacking energy: -55.678 Base-Backbone interact. energy: 0.559 local terms energy: -54.869309 where: bonds (distance) C4'-P energy: -10.890 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -15.246 flat angles P-C4'-P energy: -9.859 tors. eta vs tors. theta energy: -5.804 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: 3 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -133.003306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.003306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.003306 (E_RNA) where: Base-Base interactions energy: -78.896 where: short stacking energy: -46.332 Base-Backbone interact. energy: -0.446 local terms energy: -53.661124 where: bonds (distance) C4'-P energy: -11.349 bonds (distance) P-C4' energy: -13.256 flat angles C4'-P-C4' energy: -14.298 flat angles P-C4'-P energy: -8.945 tors. eta vs tors. theta energy: -5.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -84.681727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.681727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.681727 (E_RNA) where: Base-Base interactions energy: -36.753 where: short stacking energy: -28.708 Base-Backbone interact. energy: -0.560 local terms energy: -47.368916 where: bonds (distance) C4'-P energy: -14.532 bonds (distance) P-C4' energy: -12.145 flat angles C4'-P-C4' energy: -13.450 flat angles P-C4'-P energy: -7.729 tors. eta vs tors. theta energy: 0.487 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: 8, replica: 7 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -87.633963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.633963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.633963 (E_RNA) where: Base-Base interactions energy: -41.083 where: short stacking energy: -39.433 Base-Backbone interact. energy: -0.017 local terms energy: -46.533855 where: bonds (distance) C4'-P energy: -6.418 bonds (distance) P-C4' energy: -8.924 flat angles C4'-P-C4' energy: -14.409 flat angles P-C4'-P energy: -6.698 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: 9, replica: 9 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -78.581368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.581368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.581368 (E_RNA) where: Base-Base interactions energy: -35.777 where: short stacking energy: -35.777 Base-Backbone interact. energy: -0.168 local terms energy: -42.635901 where: bonds (distance) C4'-P energy: -7.546 bonds (distance) P-C4' energy: -10.321 flat angles C4'-P-C4' energy: -11.835 flat angles P-C4'-P energy: -6.269 tors. eta vs tors. theta energy: -6.665 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: 273 Temperature: 1.350000 Total energy: -72.089263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.089263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.089263 (E_RNA) where: Base-Base interactions energy: -33.784 where: short stacking energy: -33.784 Base-Backbone interact. energy: -0.102 local terms energy: -38.203822 where: bonds (distance) C4'-P energy: -11.921 bonds (distance) P-C4' energy: -11.824 flat angles C4'-P-C4' energy: -6.472 flat angles P-C4'-P energy: 0.284 tors. eta vs tors. theta energy: -8.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -157.597581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.597581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.597581 (E_RNA) where: Base-Base interactions energy: -95.083 where: short stacking energy: -60.061 Base-Backbone interact. energy: -0.674 local terms energy: -61.840540 where: bonds (distance) C4'-P energy: -11.172 bonds (distance) P-C4' energy: -14.771 flat angles C4'-P-C4' energy: -11.900 flat angles P-C4'-P energy: -8.213 tors. eta vs tors. theta energy: -15.785 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: 274 Temperature: 0.950000 Total energy: -148.252489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.252489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.252489 (E_RNA) where: Base-Base interactions energy: -85.112 where: short stacking energy: -55.357 Base-Backbone interact. energy: -0.464 local terms energy: -62.677149 where: bonds (distance) C4'-P energy: -14.727 bonds (distance) P-C4' energy: -13.687 flat angles C4'-P-C4' energy: -13.941 flat angles P-C4'-P energy: -9.073 tors. eta vs tors. theta energy: -11.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -133.736764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.736764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.736764 (E_RNA) where: Base-Base interactions energy: -77.482 where: short stacking energy: -50.670 Base-Backbone interact. energy: -0.032 local terms energy: -56.223418 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -12.909 flat angles P-C4'-P energy: -10.451 tors. eta vs tors. theta energy: -11.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -150.750884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.750884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.750884 (E_RNA) where: Base-Base interactions energy: -89.089 where: short stacking energy: -55.930 Base-Backbone interact. energy: -0.111 local terms energy: -61.550053 where: bonds (distance) C4'-P energy: -13.817 bonds (distance) P-C4' energy: -13.038 flat angles C4'-P-C4' energy: -12.602 flat angles P-C4'-P energy: -12.353 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: 3 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -142.613657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.613657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.613657 (E_RNA) where: Base-Base interactions energy: -90.573 where: short stacking energy: -57.656 Base-Backbone interact. energy: -0.086 local terms energy: -51.954482 where: bonds (distance) C4'-P energy: -11.797 bonds (distance) P-C4' energy: -13.471 flat angles C4'-P-C4' energy: -13.053 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: -9.475 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: 6, replica: 4 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -119.823341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.823341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.823341 (E_RNA) where: Base-Base interactions energy: -67.157 where: short stacking energy: -42.398 Base-Backbone interact. energy: 0.113 local terms energy: -52.779878 where: bonds (distance) C4'-P energy: -10.315 bonds (distance) P-C4' energy: -14.790 flat angles C4'-P-C4' energy: -13.449 flat angles P-C4'-P energy: -5.951 tors. eta vs tors. theta energy: -8.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -92.789411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.789411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.789411 (E_RNA) where: Base-Base interactions energy: -40.586 where: short stacking energy: -36.791 Base-Backbone interact. energy: 0.540 local terms energy: -52.743959 where: bonds (distance) C4'-P energy: -13.242 bonds (distance) P-C4' energy: -14.314 flat angles C4'-P-C4' energy: -12.594 flat angles P-C4'-P energy: -7.695 tors. eta vs tors. theta energy: -4.900 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: 5 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -84.176753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.176753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.176753 (E_RNA) where: Base-Base interactions energy: -42.740 where: short stacking energy: -42.740 Base-Backbone interact. energy: -0.064 local terms energy: -41.372336 where: bonds (distance) C4'-P energy: -12.807 bonds (distance) P-C4' energy: -9.057 flat angles C4'-P-C4' energy: -6.955 flat angles P-C4'-P energy: -8.359 tors. eta vs tors. theta energy: -4.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -87.746342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.746342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.746342 (E_RNA) where: Base-Base interactions energy: -38.263 where: short stacking energy: -36.513 Base-Backbone interact. energy: -0.194 local terms energy: -49.289493 where: bonds (distance) C4'-P energy: -10.521 bonds (distance) P-C4' energy: -14.044 flat angles C4'-P-C4' energy: -9.849 flat angles P-C4'-P energy: -9.211 tors. eta vs tors. theta energy: -5.665 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: 9 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -80.994794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.994794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.994794 (E_RNA) where: Base-Base interactions energy: -36.313 where: short stacking energy: -26.213 Base-Backbone interact. energy: -0.310 local terms energy: -44.371417 where: bonds (distance) C4'-P energy: -12.628 bonds (distance) P-C4' energy: -10.940 flat angles C4'-P-C4' energy: -11.326 flat angles P-C4'-P energy: -6.168 tors. eta vs tors. theta energy: -3.309 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: 1, replica: 8 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -157.849919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.849919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.849919 (E_RNA) where: Base-Base interactions energy: -92.271 where: short stacking energy: -51.280 Base-Backbone interact. energy: -1.715 local terms energy: -63.863887 where: bonds (distance) C4'-P energy: -14.434 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -11.749 flat angles P-C4'-P energy: -11.790 tors. eta vs tors. theta energy: -12.341 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: 6 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -152.268279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.268279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.268279 (E_RNA) where: Base-Base interactions energy: -92.327 where: short stacking energy: -60.736 Base-Backbone interact. energy: -0.577 local terms energy: -59.363932 where: bonds (distance) C4'-P energy: -10.200 bonds (distance) P-C4' energy: -13.774 flat angles C4'-P-C4' energy: -11.074 flat angles P-C4'-P energy: -8.412 tors. eta vs tors. theta energy: -15.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -146.426586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.426586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.426586 (E_RNA) where: Base-Base interactions energy: -85.579 where: short stacking energy: -56.833 Base-Backbone interact. energy: 0.400 local terms energy: -61.247371 where: bonds (distance) C4'-P energy: -11.767 bonds (distance) P-C4' energy: -14.467 flat angles C4'-P-C4' energy: -16.171 flat angles P-C4'-P energy: -7.416 tors. eta vs tors. theta energy: -11.426 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: 3 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -133.216469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.216469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.216469 (E_RNA) where: Base-Base interactions energy: -82.621 where: short stacking energy: -52.358 Base-Backbone interact. energy: -0.085 local terms energy: -50.510760 where: bonds (distance) C4'-P energy: -12.443 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -10.695 flat angles P-C4'-P energy: -6.094 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: 5, replica: 10 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -139.649807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.649807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.649807 (E_RNA) where: Base-Base interactions energy: -83.496 where: short stacking energy: -52.488 Base-Backbone interact. energy: -0.069 local terms energy: -56.084943 where: bonds (distance) C4'-P energy: -8.712 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -14.647 flat angles P-C4'-P energy: -5.917 tors. eta vs tors. theta energy: -13.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -123.771276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.771276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.771276 (E_RNA) where: Base-Base interactions energy: -73.829 where: short stacking energy: -42.293 Base-Backbone interact. energy: -0.042 local terms energy: -49.900100 where: bonds (distance) C4'-P energy: -9.673 bonds (distance) P-C4' energy: -11.171 flat angles C4'-P-C4' energy: -11.403 flat angles P-C4'-P energy: -10.759 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: 7, replica: 7 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -89.663239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.663239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.663239 (E_RNA) where: Base-Base interactions energy: -46.136 where: short stacking energy: -42.524 Base-Backbone interact. energy: -0.029 local terms energy: -43.498002 where: bonds (distance) C4'-P energy: -9.375 bonds (distance) P-C4' energy: -11.891 flat angles C4'-P-C4' energy: -9.438 flat angles P-C4'-P energy: -4.477 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: 8, replica: 1 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -82.171688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.171688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.171688 (E_RNA) where: Base-Base interactions energy: -31.624 where: short stacking energy: -31.624 Base-Backbone interact. energy: 1.130 local terms energy: -51.678250 where: bonds (distance) C4'-P energy: -12.773 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -11.996 flat angles P-C4'-P energy: -7.091 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: 9, replica: 5 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -75.616686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.616686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.616686 (E_RNA) where: Base-Base interactions energy: -30.522 where: short stacking energy: -28.706 Base-Backbone interact. energy: -0.332 local terms energy: -44.763114 where: bonds (distance) C4'-P energy: -12.219 bonds (distance) P-C4' energy: -11.346 flat angles C4'-P-C4' energy: -11.321 flat angles P-C4'-P energy: -11.320 tors. eta vs tors. theta energy: 1.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -74.279552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.279552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.279552 (E_RNA) where: Base-Base interactions energy: -29.609 where: short stacking energy: -26.307 Base-Backbone interact. energy: 1.168 local terms energy: -45.838622 where: bonds (distance) C4'-P energy: -13.064 bonds (distance) P-C4' energy: -13.069 flat angles C4'-P-C4' energy: -11.228 flat angles P-C4'-P energy: -9.122 tors. eta vs tors. theta energy: 0.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -162.781077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.781077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.781077 (E_RNA) where: Base-Base interactions energy: -95.445 where: short stacking energy: -57.942 Base-Backbone interact. energy: 0.653 local terms energy: -67.989237 where: bonds (distance) C4'-P energy: -15.009 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -14.806 flat angles P-C4'-P energy: -8.956 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: 2, replica: 6 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -135.174892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.174892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.174892 (E_RNA) where: Base-Base interactions energy: -84.767 where: short stacking energy: -50.149 Base-Backbone interact. energy: -0.101 local terms energy: -50.307382 where: bonds (distance) C4'-P energy: -11.189 bonds (distance) P-C4' energy: -15.147 flat angles C4'-P-C4' energy: -8.221 flat angles P-C4'-P energy: -7.615 tors. eta vs tors. theta energy: -8.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -146.579693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.579693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.579693 (E_RNA) where: Base-Base interactions energy: -85.088 where: short stacking energy: -54.209 Base-Backbone interact. energy: -0.109 local terms energy: -61.382983 where: bonds (distance) C4'-P energy: -13.479 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -15.416 flat angles P-C4'-P energy: -7.665 tors. eta vs tors. theta energy: -12.387 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: 2 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -143.544108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.544108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.544108 (E_RNA) where: Base-Base interactions energy: -83.867 where: short stacking energy: -56.942 Base-Backbone interact. energy: -0.133 local terms energy: -59.543530 where: bonds (distance) C4'-P energy: -12.608 bonds (distance) P-C4' energy: -11.694 flat angles C4'-P-C4' energy: -10.150 flat angles P-C4'-P energy: -10.749 tors. eta vs tors. theta energy: -14.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -142.044284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.044284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.044284 (E_RNA) where: Base-Base interactions energy: -85.945 where: short stacking energy: -48.219 Base-Backbone interact. energy: -0.059 local terms energy: -56.040252 where: bonds (distance) C4'-P energy: -12.898 bonds (distance) P-C4' energy: -12.578 flat angles C4'-P-C4' energy: -13.471 flat angles P-C4'-P energy: -6.343 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: 6, replica: 4 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -139.711323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.711323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.711323 (E_RNA) where: Base-Base interactions energy: -86.514 where: short stacking energy: -55.599 Base-Backbone interact. energy: -0.034 local terms energy: -53.162973 where: bonds (distance) C4'-P energy: -10.206 bonds (distance) P-C4' energy: -12.446 flat angles C4'-P-C4' energy: -13.246 flat angles P-C4'-P energy: -6.722 tors. eta vs tors. theta energy: -10.544 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: 1 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -91.340058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.340058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.340058 (E_RNA) where: Base-Base interactions energy: -38.085 where: short stacking energy: -38.085 Base-Backbone interact. energy: -0.006 local terms energy: -53.249034 where: bonds (distance) C4'-P energy: -9.914 bonds (distance) P-C4' energy: -12.075 flat angles C4'-P-C4' energy: -14.839 flat angles P-C4'-P energy: -8.385 tors. eta vs tors. theta energy: -8.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -85.831231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.831231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.831231 (E_RNA) where: Base-Base interactions energy: -37.971 where: short stacking energy: -32.795 Base-Backbone interact. energy: 0.682 local terms energy: -48.542905 where: bonds (distance) C4'-P energy: -9.734 bonds (distance) P-C4' energy: -13.229 flat angles C4'-P-C4' energy: -13.650 flat angles P-C4'-P energy: -6.860 tors. eta vs tors. theta energy: -5.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -84.841420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.841420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.841420 (E_RNA) where: Base-Base interactions energy: -42.812 where: short stacking energy: -40.540 Base-Backbone interact. energy: -0.098 local terms energy: -41.930821 where: bonds (distance) C4'-P energy: -4.473 bonds (distance) P-C4' energy: -14.093 flat angles C4'-P-C4' energy: -13.802 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -4.152 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: 5 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -77.969783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.969783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.969783 (E_RNA) where: Base-Base interactions energy: -37.237 where: short stacking energy: -37.937 Base-Backbone interact. energy: 0.499 local terms energy: -41.232210 where: bonds (distance) C4'-P energy: -8.784 bonds (distance) P-C4' energy: -8.960 flat angles C4'-P-C4' energy: -8.677 flat angles P-C4'-P energy: -7.934 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: 1, replica: 8 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -168.285288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.285288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.285288 (E_RNA) where: Base-Base interactions energy: -105.988 where: short stacking energy: -64.217 Base-Backbone interact. energy: -0.019 local terms energy: -62.278424 where: bonds (distance) C4'-P energy: -13.166 bonds (distance) P-C4' energy: -13.944 flat angles C4'-P-C4' energy: -12.403 flat angles P-C4'-P energy: -7.338 tors. eta vs tors. theta energy: -15.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -151.767724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.767724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.767724 (E_RNA) where: Base-Base interactions energy: -94.628 where: short stacking energy: -59.696 Base-Backbone interact. energy: -0.817 local terms energy: -56.322873 where: bonds (distance) C4'-P energy: -12.426 bonds (distance) P-C4' energy: -13.908 flat angles C4'-P-C4' energy: -8.154 flat angles P-C4'-P energy: -10.171 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: 6 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -147.323768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.323768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.323768 (E_RNA) where: Base-Base interactions energy: -83.711 where: short stacking energy: -54.995 Base-Backbone interact. energy: -0.067 local terms energy: -63.545119 where: bonds (distance) C4'-P energy: -11.970 bonds (distance) P-C4' energy: -15.710 flat angles C4'-P-C4' energy: -9.378 flat angles P-C4'-P energy: -11.670 tors. eta vs tors. theta energy: -14.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -141.307766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.307766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.307766 (E_RNA) where: Base-Base interactions energy: -86.271 where: short stacking energy: -49.746 Base-Backbone interact. energy: -0.162 local terms energy: -54.874804 where: bonds (distance) C4'-P energy: -11.668 bonds (distance) P-C4' energy: -12.005 flat angles C4'-P-C4' energy: -10.349 flat angles P-C4'-P energy: -11.554 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: 5, replica: 2 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -139.988951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.988951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.988951 (E_RNA) where: Base-Base interactions energy: -87.393 where: short stacking energy: -53.956 Base-Backbone interact. energy: -0.022 local terms energy: -52.573801 where: bonds (distance) C4'-P energy: -13.037 bonds (distance) P-C4' energy: -9.390 flat angles C4'-P-C4' energy: -10.901 flat angles P-C4'-P energy: -9.770 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: 6, replica: 4 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -135.607979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.607979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.607979 (E_RNA) where: Base-Base interactions energy: -81.969 where: short stacking energy: -51.306 Base-Backbone interact. energy: -0.110 local terms energy: -53.529060 where: bonds (distance) C4'-P energy: -10.496 bonds (distance) P-C4' energy: -11.314 flat angles C4'-P-C4' energy: -11.647 flat angles P-C4'-P energy: -8.207 tors. eta vs tors. theta energy: -11.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -97.468160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.468160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.468160 (E_RNA) where: Base-Base interactions energy: -49.900 where: short stacking energy: -47.496 Base-Backbone interact. energy: -0.050 local terms energy: -47.518068 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -12.511 flat angles C4'-P-C4' energy: -12.310 flat angles P-C4'-P energy: -7.650 tors. eta vs tors. theta energy: -9.326 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: 277 Temperature: 1.250000 Total energy: -86.969783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.969783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.969783 (E_RNA) where: Base-Base interactions energy: -46.517 where: short stacking energy: -46.517 Base-Backbone interact. energy: -0.013 local terms energy: -40.439982 where: bonds (distance) C4'-P energy: -9.838 bonds (distance) P-C4' energy: -10.768 flat angles C4'-P-C4' energy: -9.892 flat angles P-C4'-P energy: -3.606 tors. eta vs tors. theta energy: -6.336 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: 7 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -74.165692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.165692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.165692 (E_RNA) where: Base-Base interactions energy: -33.229 where: short stacking energy: -29.378 Base-Backbone interact. energy: -0.084 local terms energy: -40.852269 where: bonds (distance) C4'-P energy: -8.952 bonds (distance) P-C4' energy: -13.272 flat angles C4'-P-C4' energy: -9.032 flat angles P-C4'-P energy: -7.471 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: 10, replica: 5 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -80.529081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.529081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.529081 (E_RNA) where: Base-Base interactions energy: -36.694 where: short stacking energy: -34.806 Base-Backbone interact. energy: -0.111 local terms energy: -43.724656 where: bonds (distance) C4'-P energy: -10.493 bonds (distance) P-C4' energy: -12.144 flat angles C4'-P-C4' energy: -13.251 flat angles P-C4'-P energy: -3.019 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: 3 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -157.510294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.510294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.510294 (E_RNA) where: Base-Base interactions energy: -96.525 where: short stacking energy: -64.211 Base-Backbone interact. energy: -0.002 local terms energy: -60.983015 where: bonds (distance) C4'-P energy: -9.123 bonds (distance) P-C4' energy: -12.284 flat angles C4'-P-C4' energy: -14.963 flat angles P-C4'-P energy: -10.014 tors. eta vs tors. theta energy: -14.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -163.599418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.599418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.599418 (E_RNA) where: Base-Base interactions energy: -105.621 where: short stacking energy: -56.672 Base-Backbone interact. energy: 0.130 local terms energy: -58.108402 where: bonds (distance) C4'-P energy: -12.508 bonds (distance) P-C4' energy: -13.659 flat angles C4'-P-C4' energy: -11.056 flat angles P-C4'-P energy: -6.837 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: 3, replica: 10 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -139.398824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.398824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.398824 (E_RNA) where: Base-Base interactions energy: -78.834 where: short stacking energy: -49.018 Base-Backbone interact. energy: -0.098 local terms energy: -60.466836 where: bonds (distance) C4'-P energy: -13.254 bonds (distance) P-C4' energy: -14.722 flat angles C4'-P-C4' energy: -12.645 flat angles P-C4'-P energy: -8.130 tors. eta vs tors. theta energy: -11.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -135.390950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.390950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.390950 (E_RNA) where: Base-Base interactions energy: -82.716 where: short stacking energy: -44.898 Base-Backbone interact. energy: -0.046 local terms energy: -52.628735 where: bonds (distance) C4'-P energy: -8.713 bonds (distance) P-C4' energy: -13.275 flat angles C4'-P-C4' energy: -12.937 flat angles P-C4'-P energy: -7.294 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: 5, replica: 2 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -129.558868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.558868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.558868 (E_RNA) where: Base-Base interactions energy: -65.579 where: short stacking energy: -40.599 Base-Backbone interact. energy: -0.417 local terms energy: -63.562608 where: bonds (distance) C4'-P energy: -13.713 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -13.685 flat angles P-C4'-P energy: -11.116 tors. eta vs tors. theta energy: -10.006 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: 4 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -132.316396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.316396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.316396 (E_RNA) where: Base-Base interactions energy: -77.979 where: short stacking energy: -45.562 Base-Backbone interact. energy: -0.107 local terms energy: -54.230290 where: bonds (distance) C4'-P energy: -13.109 bonds (distance) P-C4' energy: -10.129 flat angles C4'-P-C4' energy: -13.886 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -11.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -85.071562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.071562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.071562 (E_RNA) where: Base-Base interactions energy: -37.473 where: short stacking energy: -33.403 Base-Backbone interact. energy: 0.010 local terms energy: -47.608294 where: bonds (distance) C4'-P energy: -6.877 bonds (distance) P-C4' energy: -13.603 flat angles C4'-P-C4' energy: -13.208 flat angles P-C4'-P energy: -7.905 tors. eta vs tors. theta energy: -6.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -95.646468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.646468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.646468 (E_RNA) where: Base-Base interactions energy: -41.648 where: short stacking energy: -32.704 Base-Backbone interact. energy: -0.880 local terms energy: -53.118094 where: bonds (distance) C4'-P energy: -13.614 bonds (distance) P-C4' energy: -11.881 flat angles C4'-P-C4' energy: -12.960 flat angles P-C4'-P energy: -8.597 tors. eta vs tors. theta energy: -6.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -85.179894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.179894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.179894 (E_RNA) where: Base-Base interactions energy: -38.276 where: short stacking energy: -38.276 Base-Backbone interact. energy: -0.054 local terms energy: -46.849899 where: bonds (distance) C4'-P energy: -11.477 bonds (distance) P-C4' energy: -8.845 flat angles C4'-P-C4' energy: -11.774 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: -10.070 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: 7 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -78.293997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.293997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.293997 (E_RNA) where: Base-Base interactions energy: -31.101 where: short stacking energy: -29.916 Base-Backbone interact. energy: -0.045 local terms energy: -47.147463 where: bonds (distance) C4'-P energy: -13.199 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -10.438 flat angles P-C4'-P energy: -3.295 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: 1, replica: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -154.815499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.815499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.815499 (E_RNA) where: Base-Base interactions energy: -92.274 where: short stacking energy: -55.677 Base-Backbone interact. energy: -0.001 local terms energy: -62.540696 where: bonds (distance) C4'-P energy: -13.502 bonds (distance) P-C4' energy: -10.982 flat angles C4'-P-C4' energy: -15.400 flat angles P-C4'-P energy: -9.451 tors. eta vs tors. theta energy: -13.206 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: 8 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -155.251520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.251520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.251520 (E_RNA) where: Base-Base interactions energy: -91.850 where: short stacking energy: -58.167 Base-Backbone interact. energy: -0.002 local terms energy: -63.398794 where: bonds (distance) C4'-P energy: -13.390 bonds (distance) P-C4' energy: -13.799 flat angles C4'-P-C4' energy: -11.675 flat angles P-C4'-P energy: -11.618 tors. eta vs tors. theta energy: -12.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -141.901272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.901272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.901272 (E_RNA) where: Base-Base interactions energy: -79.883 where: short stacking energy: -44.227 Base-Backbone interact. energy: -1.319 local terms energy: -60.699667 where: bonds (distance) C4'-P energy: -15.319 bonds (distance) P-C4' energy: -12.416 flat angles C4'-P-C4' energy: -15.155 flat angles P-C4'-P energy: -7.406 tors. eta vs tors. theta energy: -10.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -131.400994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.400994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.400994 (E_RNA) where: Base-Base interactions energy: -71.933 where: short stacking energy: -42.194 Base-Backbone interact. energy: -0.007 local terms energy: -59.460423 where: bonds (distance) C4'-P energy: -11.888 bonds (distance) P-C4' energy: -14.339 flat angles C4'-P-C4' energy: -11.806 flat angles P-C4'-P energy: -11.398 tors. eta vs tors. theta energy: -10.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -134.867865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.867865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.867865 (E_RNA) where: Base-Base interactions energy: -83.081 where: short stacking energy: -50.307 Base-Backbone interact. energy: -0.003 local terms energy: -51.784347 where: bonds (distance) C4'-P energy: -13.240 bonds (distance) P-C4' energy: -12.676 flat angles C4'-P-C4' energy: -7.817 flat angles P-C4'-P energy: -8.128 tors. eta vs tors. theta energy: -9.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -133.207128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.207128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.207128 (E_RNA) where: Base-Base interactions energy: -89.061 where: short stacking energy: -55.800 Base-Backbone interact. energy: -0.107 local terms energy: -44.038314 where: bonds (distance) C4'-P energy: -9.885 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -8.641 flat angles P-C4'-P energy: -6.832 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: 7, replica: 9 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -79.074999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.074999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.074999 (E_RNA) where: Base-Base interactions energy: -33.093 where: short stacking energy: -29.041 Base-Backbone interact. energy: 0.073 local terms energy: -46.055287 where: bonds (distance) C4'-P energy: -9.689 bonds (distance) P-C4' energy: -13.004 flat angles C4'-P-C4' energy: -11.466 flat angles P-C4'-P energy: -7.953 tors. eta vs tors. theta energy: -3.943 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: 5 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -73.010293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.010293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.010293 (E_RNA) where: Base-Base interactions energy: -26.618 where: short stacking energy: -23.204 Base-Backbone interact. energy: -0.166 local terms energy: -46.226062 where: bonds (distance) C4'-P energy: -8.951 bonds (distance) P-C4' energy: -12.579 flat angles C4'-P-C4' energy: -12.146 flat angles P-C4'-P energy: -8.464 tors. eta vs tors. theta energy: -4.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -86.201949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.201949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.201949 (E_RNA) where: Base-Base interactions energy: -40.646 where: short stacking energy: -34.825 Base-Backbone interact. energy: -0.000 local terms energy: -45.555534 where: bonds (distance) C4'-P energy: -10.099 bonds (distance) P-C4' energy: -13.464 flat angles C4'-P-C4' energy: -11.390 flat angles P-C4'-P energy: -2.948 tors. eta vs tors. theta energy: -7.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -89.080824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.080824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.080824 (E_RNA) where: Base-Base interactions energy: -36.734 where: short stacking energy: -25.437 Base-Backbone interact. energy: -0.174 local terms energy: -52.172468 where: bonds (distance) C4'-P energy: -12.563 bonds (distance) P-C4' energy: -15.470 flat angles C4'-P-C4' energy: -12.445 flat angles P-C4'-P energy: -7.574 tors. eta vs tors. theta energy: -4.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -158.231807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.231807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.231807 (E_RNA) where: Base-Base interactions energy: -96.277 where: short stacking energy: -65.197 Base-Backbone interact. energy: -0.002 local terms energy: -61.952964 where: bonds (distance) C4'-P energy: -13.125 bonds (distance) P-C4' energy: -11.006 flat angles C4'-P-C4' energy: -13.814 flat angles P-C4'-P energy: -8.698 tors. eta vs tors. theta energy: -15.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -156.918440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.918440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.918440 (E_RNA) where: Base-Base interactions energy: -96.742 where: short stacking energy: -56.884 Base-Backbone interact. energy: -0.754 local terms energy: -59.422036 where: bonds (distance) C4'-P energy: -10.560 bonds (distance) P-C4' energy: -10.649 flat angles C4'-P-C4' energy: -15.540 flat angles P-C4'-P energy: -5.947 tors. eta vs tors. theta energy: -16.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -153.374743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.374743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.374743 (E_RNA) where: Base-Base interactions energy: -86.083 where: short stacking energy: -56.428 Base-Backbone interact. energy: -0.064 local terms energy: -67.228095 where: bonds (distance) C4'-P energy: -15.125 bonds (distance) P-C4' energy: -12.208 flat angles C4'-P-C4' energy: -14.955 flat angles P-C4'-P energy: -10.060 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: 4, replica: 10 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -149.885519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.885519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.885519 (E_RNA) where: Base-Base interactions energy: -93.320 where: short stacking energy: -43.897 Base-Backbone interact. energy: -0.247 local terms energy: -56.318917 where: bonds (distance) C4'-P energy: -12.219 bonds (distance) P-C4' energy: -10.553 flat angles C4'-P-C4' energy: -14.554 flat angles P-C4'-P energy: -9.746 tors. eta vs tors. theta energy: -9.246 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: 280 Temperature: 1.100000 Total energy: -146.597145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.597145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.597145 (E_RNA) where: Base-Base interactions energy: -86.155 where: short stacking energy: -53.928 Base-Backbone interact. energy: 0.455 local terms energy: -60.897205 where: bonds (distance) C4'-P energy: -13.704 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -12.587 flat angles P-C4'-P energy: -8.855 tors. eta vs tors. theta energy: -12.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -145.897997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.897997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.897997 (E_RNA) where: Base-Base interactions energy: -95.098 where: short stacking energy: -54.827 Base-Backbone interact. energy: 0.182 local terms energy: -50.981686 where: bonds (distance) C4'-P energy: -12.587 bonds (distance) P-C4' energy: -10.220 flat angles C4'-P-C4' energy: -10.792 flat angles P-C4'-P energy: -5.961 tors. eta vs tors. theta energy: -11.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -88.431322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.431322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.431322 (E_RNA) where: Base-Base interactions energy: -38.855 where: short stacking energy: -37.729 Base-Backbone interact. energy: 0.767 local terms energy: -50.343599 where: bonds (distance) C4'-P energy: -11.814 bonds (distance) P-C4' energy: -10.430 flat angles C4'-P-C4' energy: -12.686 flat angles P-C4'-P energy: -7.805 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: 5 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -86.437672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.437672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.437672 (E_RNA) where: Base-Base interactions energy: -34.549 where: short stacking energy: -34.293 Base-Backbone interact. energy: -0.024 local terms energy: -51.864231 where: bonds (distance) C4'-P energy: -10.623 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -14.581 flat angles P-C4'-P energy: -3.602 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: 9, replica: 7 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -69.193752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.193752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.193752 (E_RNA) where: Base-Base interactions energy: -24.418 where: short stacking energy: -22.659 Base-Backbone interact. energy: -0.190 local terms energy: -44.585789 where: bonds (distance) C4'-P energy: -10.819 bonds (distance) P-C4' energy: -13.490 flat angles C4'-P-C4' energy: -11.179 flat angles P-C4'-P energy: -10.917 tors. eta vs tors. theta energy: 1.820 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: 1 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -68.518937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.518937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.518937 (E_RNA) where: Base-Base interactions energy: -26.192 where: short stacking energy: -23.785 Base-Backbone interact. energy: -0.016 local terms energy: -42.311096 where: bonds (distance) C4'-P energy: -13.622 bonds (distance) P-C4' energy: -8.641 flat angles C4'-P-C4' energy: -13.547 flat angles P-C4'-P energy: -5.998 tors. eta vs tors. theta energy: -0.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -169.058635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.058635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.058635 (E_RNA) where: Base-Base interactions energy: -105.721 where: short stacking energy: -70.429 Base-Backbone interact. energy: -0.040 local terms energy: -63.297758 where: bonds (distance) C4'-P energy: -10.832 bonds (distance) P-C4' energy: -11.706 flat angles C4'-P-C4' energy: -13.901 flat angles P-C4'-P energy: -7.741 tors. eta vs tors. theta energy: -19.116 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: 2, replica: 6 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -140.705920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.705920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.705920 (E_RNA) where: Base-Base interactions energy: -82.455 where: short stacking energy: -47.099 Base-Backbone interact. energy: -0.656 local terms energy: -57.594860 where: bonds (distance) C4'-P energy: -10.534 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -11.838 flat angles P-C4'-P energy: -8.154 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: 3, replica: 3 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -156.825576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.825576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.825576 (E_RNA) where: Base-Base interactions energy: -94.363 where: short stacking energy: -60.848 Base-Backbone interact. energy: -0.021 local terms energy: -62.441189 where: bonds (distance) C4'-P energy: -12.078 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -11.139 flat angles P-C4'-P energy: -11.963 tors. eta vs tors. theta energy: -12.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -153.735716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.735716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.735716 (E_RNA) where: Base-Base interactions energy: -94.344 where: short stacking energy: -49.731 Base-Backbone interact. energy: -0.813 local terms energy: -58.578772 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -8.755 flat angles C4'-P-C4' energy: -14.392 flat angles P-C4'-P energy: -8.208 tors. eta vs tors. theta energy: -12.775 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: 281 Temperature: 1.100000 Total energy: -134.377641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.377641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.377641 (E_RNA) where: Base-Base interactions energy: -79.747 where: short stacking energy: -49.926 Base-Backbone interact. energy: -0.019 local terms energy: -54.612108 where: bonds (distance) C4'-P energy: -13.455 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -10.813 flat angles P-C4'-P energy: -6.462 tors. eta vs tors. theta energy: -10.848 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: 2 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -131.121926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.121926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.121926 (E_RNA) where: Base-Base interactions energy: -77.205 where: short stacking energy: -43.789 Base-Backbone interact. energy: -0.237 local terms energy: -53.680260 where: bonds (distance) C4'-P energy: -15.171 bonds (distance) P-C4' energy: -10.240 flat angles C4'-P-C4' energy: -12.773 flat angles P-C4'-P energy: -7.857 tors. eta vs tors. theta energy: -7.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -85.046773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.046773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.046773 (E_RNA) where: Base-Base interactions energy: -34.961 where: short stacking energy: -34.704 Base-Backbone interact. energy: -0.786 local terms energy: -49.299320 where: bonds (distance) C4'-P energy: -13.627 bonds (distance) P-C4' energy: -11.467 flat angles C4'-P-C4' energy: -12.177 flat angles P-C4'-P energy: -8.259 tors. eta vs tors. theta energy: -3.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -85.766125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.766125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.766125 (E_RNA) where: Base-Base interactions energy: -32.326 where: short stacking energy: -32.326 Base-Backbone interact. energy: -0.002 local terms energy: -53.437665 where: bonds (distance) C4'-P energy: -13.241 bonds (distance) P-C4' energy: -15.992 flat angles C4'-P-C4' energy: -11.000 flat angles P-C4'-P energy: -8.147 tors. eta vs tors. theta energy: -5.058 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: 281 Temperature: 1.300000 Total energy: -80.659671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.659671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.659671 (E_RNA) where: Base-Base interactions energy: -38.589 where: short stacking energy: -38.589 Base-Backbone interact. energy: -0.005 local terms energy: -42.065750 where: bonds (distance) C4'-P energy: -13.705 bonds (distance) P-C4' energy: -4.887 flat angles C4'-P-C4' energy: -14.108 flat angles P-C4'-P energy: -5.154 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: 10, replica: 1 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -74.676249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.676249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.676249 (E_RNA) where: Base-Base interactions energy: -40.910 where: short stacking energy: -37.535 Base-Backbone interact. energy: 0.191 local terms energy: -33.957247 where: bonds (distance) C4'-P energy: -10.144 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -11.860 flat angles P-C4'-P energy: -3.989 tors. eta vs tors. theta energy: -1.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -162.347027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.347027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.347027 (E_RNA) where: Base-Base interactions energy: -98.754 where: short stacking energy: -64.616 Base-Backbone interact. energy: -0.067 local terms energy: -63.526217 where: bonds (distance) C4'-P energy: -11.163 bonds (distance) P-C4' energy: -14.551 flat angles C4'-P-C4' energy: -12.133 flat angles P-C4'-P energy: -7.645 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: 2, replica: 6 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -145.194466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.194466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.194466 (E_RNA) where: Base-Base interactions energy: -88.521 where: short stacking energy: -59.031 Base-Backbone interact. energy: 0.457 local terms energy: -57.129736 where: bonds (distance) C4'-P energy: -11.733 bonds (distance) P-C4' energy: -12.700 flat angles C4'-P-C4' energy: -11.178 flat angles P-C4'-P energy: -8.016 tors. eta vs tors. theta energy: -13.502 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: 3 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -146.657327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.657327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.657327 (E_RNA) where: Base-Base interactions energy: -84.405 where: short stacking energy: -52.856 Base-Backbone interact. energy: -0.002 local terms energy: -62.250373 where: bonds (distance) C4'-P energy: -11.515 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -13.764 flat angles P-C4'-P energy: -11.122 tors. eta vs tors. theta energy: -11.464 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: 4, replica: 10 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -129.101019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.101019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.101019 (E_RNA) where: Base-Base interactions energy: -72.000 where: short stacking energy: -40.933 Base-Backbone interact. energy: -0.149 local terms energy: -56.951545 where: bonds (distance) C4'-P energy: -10.529 bonds (distance) P-C4' energy: -12.218 flat angles C4'-P-C4' energy: -14.287 flat angles P-C4'-P energy: -10.739 tors. eta vs tors. theta energy: -9.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -137.138806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.138806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.138806 (E_RNA) where: Base-Base interactions energy: -80.886 where: short stacking energy: -49.576 Base-Backbone interact. energy: -0.182 local terms energy: -56.070780 where: bonds (distance) C4'-P energy: -13.722 bonds (distance) P-C4' energy: -12.919 flat angles C4'-P-C4' energy: -14.774 flat angles P-C4'-P energy: -6.238 tors. eta vs tors. theta energy: -8.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -110.418376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.418376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.418376 (E_RNA) where: Base-Base interactions energy: -61.778 where: short stacking energy: -28.934 Base-Backbone interact. energy: -0.217 local terms energy: -48.423890 where: bonds (distance) C4'-P energy: -13.693 bonds (distance) P-C4' energy: -15.040 flat angles C4'-P-C4' energy: -11.358 flat angles P-C4'-P energy: -8.898 tors. eta vs tors. theta energy: 0.566 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: 9 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -86.254192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.254192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.254192 (E_RNA) where: Base-Base interactions energy: -40.292 where: short stacking energy: -31.097 Base-Backbone interact. energy: -0.026 local terms energy: -45.936776 where: bonds (distance) C4'-P energy: -11.937 bonds (distance) P-C4' energy: -12.402 flat angles C4'-P-C4' energy: -10.236 flat angles P-C4'-P energy: -8.664 tors. eta vs tors. theta energy: -2.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -94.508404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.508404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.508404 (E_RNA) where: Base-Base interactions energy: -42.922 where: short stacking energy: -43.029 Base-Backbone interact. energy: -0.088 local terms energy: -51.498031 where: bonds (distance) C4'-P energy: -10.953 bonds (distance) P-C4' energy: -12.848 flat angles C4'-P-C4' energy: -9.628 flat angles P-C4'-P energy: -10.611 tors. eta vs tors. theta energy: -7.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -67.957045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.957045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.957045 (E_RNA) where: Base-Base interactions energy: -30.734 where: short stacking energy: -29.419 Base-Backbone interact. energy: -0.016 local terms energy: -37.206806 where: bonds (distance) C4'-P energy: -2.469 bonds (distance) P-C4' energy: -14.458 flat angles C4'-P-C4' energy: -9.445 flat angles P-C4'-P energy: -5.445 tors. eta vs tors. theta energy: -5.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -93.003416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.003416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.003416 (E_RNA) where: Base-Base interactions energy: -37.701 where: short stacking energy: -37.701 Base-Backbone interact. energy: -0.003 local terms energy: -55.299604 where: bonds (distance) C4'-P energy: -12.700 bonds (distance) P-C4' energy: -9.737 flat angles C4'-P-C4' energy: -12.236 flat angles P-C4'-P energy: -9.688 tors. eta vs tors. theta energy: -10.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -168.314955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.314955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.314955 (E_RNA) where: Base-Base interactions energy: -103.867 where: short stacking energy: -52.898 Base-Backbone interact. energy: -1.208 local terms energy: -63.239898 where: bonds (distance) C4'-P energy: -14.433 bonds (distance) P-C4' energy: -15.795 flat angles C4'-P-C4' energy: -13.071 flat angles P-C4'-P energy: -6.660 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: 6 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -159.820896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.820896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.820896 (E_RNA) where: Base-Base interactions energy: -94.290 where: short stacking energy: -61.629 Base-Backbone interact. energy: -0.025 local terms energy: -65.506518 where: bonds (distance) C4'-P energy: -10.608 bonds (distance) P-C4' energy: -14.649 flat angles C4'-P-C4' energy: -16.236 flat angles P-C4'-P energy: -8.649 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: 3 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -141.930362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.930362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.930362 (E_RNA) where: Base-Base interactions energy: -78.762 where: short stacking energy: -47.997 Base-Backbone interact. energy: -1.330 local terms energy: -61.838402 where: bonds (distance) C4'-P energy: -14.280 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -13.934 flat angles P-C4'-P energy: -7.885 tors. eta vs tors. theta energy: -10.199 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: 2 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -142.231294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.231294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.231294 (E_RNA) where: Base-Base interactions energy: -76.817 where: short stacking energy: -47.164 Base-Backbone interact. energy: -0.383 local terms energy: -65.031440 where: bonds (distance) C4'-P energy: -14.670 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -11.782 flat angles P-C4'-P energy: -9.881 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: 10 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -109.004636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.004636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.004636 (E_RNA) where: Base-Base interactions energy: -49.172 where: short stacking energy: -49.172 Base-Backbone interact. energy: -0.099 local terms energy: -59.733634 where: bonds (distance) C4'-P energy: -13.908 bonds (distance) P-C4' energy: -9.483 flat angles C4'-P-C4' energy: -13.184 flat angles P-C4'-P energy: -10.390 tors. eta vs tors. theta energy: -12.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -88.016955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.016955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.016955 (E_RNA) where: Base-Base interactions energy: -39.225 where: short stacking energy: -38.104 Base-Backbone interact. energy: -0.001 local terms energy: -48.790959 where: bonds (distance) C4'-P energy: -11.004 bonds (distance) P-C4' energy: -15.792 flat angles C4'-P-C4' energy: -9.755 flat angles P-C4'-P energy: -4.282 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: 7, replica: 4 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -107.720155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.720155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.720155 (E_RNA) where: Base-Base interactions energy: -66.933 where: short stacking energy: -39.846 Base-Backbone interact. energy: -0.050 local terms energy: -40.738010 where: bonds (distance) C4'-P energy: -9.486 bonds (distance) P-C4' energy: -11.605 flat angles C4'-P-C4' energy: -10.003 flat angles P-C4'-P energy: -1.070 tors. eta vs tors. theta energy: -8.574 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: 1 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -86.165757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.165757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.165757 (E_RNA) where: Base-Base interactions energy: -37.182 where: short stacking energy: -29.142 Base-Backbone interact. energy: 0.067 local terms energy: -49.050642 where: bonds (distance) C4'-P energy: -10.832 bonds (distance) P-C4' energy: -13.357 flat angles C4'-P-C4' energy: -12.457 flat angles P-C4'-P energy: -6.525 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: 9, replica: 5 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -81.388351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.388351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.388351 (E_RNA) where: Base-Base interactions energy: -43.588 where: short stacking energy: -17.863 Base-Backbone interact. energy: -0.173 local terms energy: -37.627536 where: bonds (distance) C4'-P energy: -14.595 bonds (distance) P-C4' energy: -11.232 flat angles C4'-P-C4' energy: -8.273 flat angles P-C4'-P energy: -2.987 tors. eta vs tors. theta energy: -0.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -69.039294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.039294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.039294 (E_RNA) where: Base-Base interactions energy: -25.963 where: short stacking energy: -20.410 Base-Backbone interact. energy: -0.307 local terms energy: -42.768825 where: bonds (distance) C4'-P energy: -13.311 bonds (distance) P-C4' energy: -13.881 flat angles C4'-P-C4' energy: -10.769 flat angles P-C4'-P energy: -7.929 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: 1, replica: 8 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -170.984290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.984290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.984290 (E_RNA) where: Base-Base interactions energy: -106.917 where: short stacking energy: -68.063 Base-Backbone interact. energy: -0.203 local terms energy: -63.863642 where: bonds (distance) C4'-P energy: -13.030 bonds (distance) P-C4' energy: -12.761 flat angles C4'-P-C4' energy: -12.763 flat angles P-C4'-P energy: -7.819 tors. eta vs tors. theta energy: -17.489 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: 6 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -147.579413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.579413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.579413 (E_RNA) where: Base-Base interactions energy: -87.518 where: short stacking energy: -52.447 Base-Backbone interact. energy: -0.957 local terms energy: -59.104623 where: bonds (distance) C4'-P energy: -10.649 bonds (distance) P-C4' energy: -14.998 flat angles C4'-P-C4' energy: -14.615 flat angles P-C4'-P energy: -5.318 tors. eta vs tors. theta energy: -13.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -144.149548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.149548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.149548 (E_RNA) where: Base-Base interactions energy: -82.172 where: short stacking energy: -52.861 Base-Backbone interact. energy: -0.085 local terms energy: -61.892870 where: bonds (distance) C4'-P energy: -14.122 bonds (distance) P-C4' energy: -12.581 flat angles C4'-P-C4' energy: -13.779 flat angles P-C4'-P energy: -7.306 tors. eta vs tors. theta energy: -14.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -136.376615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.376615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.376615 (E_RNA) where: Base-Base interactions energy: -77.091 where: short stacking energy: -43.220 Base-Backbone interact. energy: -0.018 local terms energy: -59.267355 where: bonds (distance) C4'-P energy: -11.245 bonds (distance) P-C4' energy: -13.648 flat angles C4'-P-C4' energy: -10.817 flat angles P-C4'-P energy: -9.482 tors. eta vs tors. theta energy: -14.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -104.983682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.983682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.983682 (E_RNA) where: Base-Base interactions energy: -48.925 where: short stacking energy: -48.925 Base-Backbone interact. energy: -0.099 local terms energy: -55.959653 where: bonds (distance) C4'-P energy: -13.188 bonds (distance) P-C4' energy: -13.038 flat angles C4'-P-C4' energy: -8.114 flat angles P-C4'-P energy: -8.163 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: 6, replica: 9 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -94.751563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.751563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.751563 (E_RNA) where: Base-Base interactions energy: -50.759 where: short stacking energy: -47.431 Base-Backbone interact. energy: -0.549 local terms energy: -43.443923 where: bonds (distance) C4'-P energy: -6.135 bonds (distance) P-C4' energy: -8.958 flat angles C4'-P-C4' energy: -12.084 flat angles P-C4'-P energy: -6.241 tors. eta vs tors. theta energy: -10.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -83.513029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.513029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.513029 (E_RNA) where: Base-Base interactions energy: -36.546 where: short stacking energy: -36.546 Base-Backbone interact. energy: -0.087 local terms energy: -46.879380 where: bonds (distance) C4'-P energy: -13.158 bonds (distance) P-C4' energy: -6.709 flat angles C4'-P-C4' energy: -11.930 flat angles P-C4'-P energy: -10.994 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: 4 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -130.175060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.175060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.175060 (E_RNA) where: Base-Base interactions energy: -75.207 where: short stacking energy: -47.087 Base-Backbone interact. energy: 0.210 local terms energy: -55.178928 where: bonds (distance) C4'-P energy: -11.201 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -11.550 flat angles P-C4'-P energy: -7.472 tors. eta vs tors. theta energy: -10.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -115.010242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.010242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.010242 (E_RNA) where: Base-Base interactions energy: -71.019 where: short stacking energy: -35.646 Base-Backbone interact. energy: -0.023 local terms energy: -43.968109 where: bonds (distance) C4'-P energy: -11.692 bonds (distance) P-C4' energy: -10.349 flat angles C4'-P-C4' energy: -11.232 flat angles P-C4'-P energy: -6.396 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: 10, replica: 7 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -79.520734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.520734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.520734 (E_RNA) where: Base-Base interactions energy: -32.554 where: short stacking energy: -32.057 Base-Backbone interact. energy: -0.489 local terms energy: -46.477900 where: bonds (distance) C4'-P energy: -12.442 bonds (distance) P-C4' energy: -11.779 flat angles C4'-P-C4' energy: -14.273 flat angles P-C4'-P energy: -3.616 tors. eta vs tors. theta energy: -4.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -167.582157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.582157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.582157 (E_RNA) where: Base-Base interactions energy: -107.886 where: short stacking energy: -54.782 Base-Backbone interact. energy: -0.013 local terms energy: -59.682945 where: bonds (distance) C4'-P energy: -15.133 bonds (distance) P-C4' energy: -12.943 flat angles C4'-P-C4' energy: -13.578 flat angles P-C4'-P energy: -3.410 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: 2, replica: 2 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -146.716444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.716444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.716444 (E_RNA) where: Base-Base interactions energy: -86.386 where: short stacking energy: -52.036 Base-Backbone interact. energy: -0.005 local terms energy: -60.325479 where: bonds (distance) C4'-P energy: -10.695 bonds (distance) P-C4' energy: -16.256 flat angles C4'-P-C4' energy: -14.230 flat angles P-C4'-P energy: -8.698 tors. eta vs tors. theta energy: -10.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -151.647113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.647113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.647113 (E_RNA) where: Base-Base interactions energy: -97.575 where: short stacking energy: -56.064 Base-Backbone interact. energy: -0.122 local terms energy: -53.950558 where: bonds (distance) C4'-P energy: -13.774 bonds (distance) P-C4' energy: -15.998 flat angles C4'-P-C4' energy: -7.170 flat angles P-C4'-P energy: -8.409 tors. eta vs tors. theta energy: -8.599 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: 285 Temperature: 1.050000 Total energy: -152.557637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.557637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.557637 (E_RNA) where: Base-Base interactions energy: -99.319 where: short stacking energy: -60.414 Base-Backbone interact. energy: -0.021 local terms energy: -53.217500 where: bonds (distance) C4'-P energy: -8.281 bonds (distance) P-C4' energy: -10.053 flat angles C4'-P-C4' energy: -14.396 flat angles P-C4'-P energy: -6.760 tors. eta vs tors. theta energy: -13.727 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: 10 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -96.275826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.275826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.275826 (E_RNA) where: Base-Base interactions energy: -42.800 where: short stacking energy: -38.902 Base-Backbone interact. energy: -0.045 local terms energy: -53.431080 where: bonds (distance) C4'-P energy: -12.388 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -10.025 flat angles P-C4'-P energy: -7.336 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: 6, replica: 9 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -90.958377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.958377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.958377 (E_RNA) where: Base-Base interactions energy: -46.523 where: short stacking energy: -35.608 Base-Backbone interact. energy: -0.002 local terms energy: -44.433167 where: bonds (distance) C4'-P energy: -8.952 bonds (distance) P-C4' energy: -10.831 flat angles C4'-P-C4' energy: -14.421 flat angles P-C4'-P energy: -5.993 tors. eta vs tors. theta energy: -4.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -86.697945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.697945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.697945 (E_RNA) where: Base-Base interactions energy: -37.238 where: short stacking energy: -36.729 Base-Backbone interact. energy: -0.041 local terms energy: -49.419226 where: bonds (distance) C4'-P energy: -5.731 bonds (distance) P-C4' energy: -14.195 flat angles C4'-P-C4' energy: -11.928 flat angles P-C4'-P energy: -9.428 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: 8, replica: 4 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -121.306942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.306942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.306942 (E_RNA) where: Base-Base interactions energy: -72.510 where: short stacking energy: -41.616 Base-Backbone interact. energy: -0.176 local terms energy: -48.620720 where: bonds (distance) C4'-P energy: -8.169 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -10.464 flat angles P-C4'-P energy: -9.106 tors. eta vs tors. theta energy: -7.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -118.488768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.488768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.488768 (E_RNA) where: Base-Base interactions energy: -75.976 where: short stacking energy: -47.511 Base-Backbone interact. energy: -0.158 local terms energy: -42.354516 where: bonds (distance) C4'-P energy: -8.924 bonds (distance) P-C4' energy: -11.415 flat angles C4'-P-C4' energy: -10.729 flat angles P-C4'-P energy: -4.700 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: 10, replica: 7 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -84.922503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.922503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.922503 (E_RNA) where: Base-Base interactions energy: -34.940 where: short stacking energy: -25.123 Base-Backbone interact. energy: -0.741 local terms energy: -49.241007 where: bonds (distance) C4'-P energy: -11.950 bonds (distance) P-C4' energy: -14.797 flat angles C4'-P-C4' energy: -9.448 flat angles P-C4'-P energy: -6.390 tors. eta vs tors. theta energy: -6.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -147.272972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.272972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.272972 (E_RNA) where: Base-Base interactions energy: -83.240 where: short stacking energy: -48.686 Base-Backbone interact. energy: -0.001 local terms energy: -64.032203 where: bonds (distance) C4'-P energy: -14.487 bonds (distance) P-C4' energy: -14.195 flat angles C4'-P-C4' energy: -16.051 flat angles P-C4'-P energy: -8.501 tors. eta vs tors. theta energy: -10.798 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: 2, replica: 2 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -156.825167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.825167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.825167 (E_RNA) where: Base-Base interactions energy: -94.761 where: short stacking energy: -54.187 Base-Backbone interact. energy: -0.054 local terms energy: -62.009624 where: bonds (distance) C4'-P energy: -13.453 bonds (distance) P-C4' energy: -12.228 flat angles C4'-P-C4' energy: -13.576 flat angles P-C4'-P energy: -10.555 tors. eta vs tors. theta energy: -12.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -152.588882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.588882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.588882 (E_RNA) where: Base-Base interactions energy: -92.126 where: short stacking energy: -62.364 Base-Backbone interact. energy: -0.098 local terms energy: -60.364504 where: bonds (distance) C4'-P energy: -11.557 bonds (distance) P-C4' energy: -14.461 flat angles C4'-P-C4' energy: -12.621 flat angles P-C4'-P energy: -7.587 tors. eta vs tors. theta energy: -14.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -139.234131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.234131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.234131 (E_RNA) where: Base-Base interactions energy: -80.695 where: short stacking energy: -50.573 Base-Backbone interact. energy: -0.039 local terms energy: -58.500600 where: bonds (distance) C4'-P energy: -12.487 bonds (distance) P-C4' energy: -12.007 flat angles C4'-P-C4' energy: -14.413 flat angles P-C4'-P energy: -11.017 tors. eta vs tors. theta energy: -8.576 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: 9 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -111.689873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.689873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.689873 (E_RNA) where: Base-Base interactions energy: -52.583 where: short stacking energy: -52.583 Base-Backbone interact. energy: -0.003 local terms energy: -59.103690 where: bonds (distance) C4'-P energy: -13.481 bonds (distance) P-C4' energy: -8.142 flat angles C4'-P-C4' energy: -11.610 flat angles P-C4'-P energy: -10.170 tors. eta vs tors. theta energy: -15.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -87.922197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.922197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.922197 (E_RNA) where: Base-Base interactions energy: -42.653 where: short stacking energy: -38.141 Base-Backbone interact. energy: -0.224 local terms energy: -45.045066 where: bonds (distance) C4'-P energy: -10.782 bonds (distance) P-C4' energy: -5.673 flat angles C4'-P-C4' energy: -13.063 flat angles P-C4'-P energy: -9.071 tors. eta vs tors. theta energy: -6.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -97.826795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.826795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.826795 (E_RNA) where: Base-Base interactions energy: -44.702 where: short stacking energy: -43.675 Base-Backbone interact. energy: -0.077 local terms energy: -53.047251 where: bonds (distance) C4'-P energy: -8.525 bonds (distance) P-C4' energy: -11.121 flat angles C4'-P-C4' energy: -12.797 flat angles P-C4'-P energy: -8.959 tors. eta vs tors. theta energy: -11.645 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: 1 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -80.705968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.705968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.705968 (E_RNA) where: Base-Base interactions energy: -32.492 where: short stacking energy: -32.233 Base-Backbone interact. energy: -0.033 local terms energy: -48.181006 where: bonds (distance) C4'-P energy: -12.604 bonds (distance) P-C4' energy: -13.050 flat angles C4'-P-C4' energy: -10.458 flat angles P-C4'-P energy: -8.275 tors. eta vs tors. theta energy: -3.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -113.934337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.934337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.934337 (E_RNA) where: Base-Base interactions energy: -69.260 where: short stacking energy: -41.234 Base-Backbone interact. energy: -0.108 local terms energy: -44.567211 where: bonds (distance) C4'-P energy: -8.890 bonds (distance) P-C4' energy: -14.768 flat angles C4'-P-C4' energy: -8.911 flat angles P-C4'-P energy: -6.639 tors. eta vs tors. theta energy: -5.360 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: 10, replica: 7 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -73.848515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.848515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.848515 (E_RNA) where: Base-Base interactions energy: -35.780 where: short stacking energy: -23.894 Base-Backbone interact. energy: -0.951 local terms energy: -37.117739 where: bonds (distance) C4'-P energy: -10.526 bonds (distance) P-C4' energy: -9.881 flat angles C4'-P-C4' energy: -9.625 flat angles P-C4'-P energy: -6.692 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: 8 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -145.995950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.995950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.995950 (E_RNA) where: Base-Base interactions energy: -78.811 where: short stacking energy: -51.244 Base-Backbone interact. energy: -0.220 local terms energy: -66.965019 where: bonds (distance) C4'-P energy: -15.117 bonds (distance) P-C4' energy: -14.565 flat angles C4'-P-C4' energy: -15.647 flat angles P-C4'-P energy: -9.003 tors. eta vs tors. theta energy: -12.634 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: 3 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -160.224344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.224344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.224344 (E_RNA) where: Base-Base interactions energy: -97.359 where: short stacking energy: -58.765 Base-Backbone interact. energy: -0.058 local terms energy: -62.806587 where: bonds (distance) C4'-P energy: -11.705 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -13.727 flat angles P-C4'-P energy: -9.531 tors. eta vs tors. theta energy: -13.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -152.161989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.161989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.161989 (E_RNA) where: Base-Base interactions energy: -93.713 where: short stacking energy: -56.582 Base-Backbone interact. energy: -0.040 local terms energy: -58.408486 where: bonds (distance) C4'-P energy: -14.326 bonds (distance) P-C4' energy: -9.749 flat angles C4'-P-C4' energy: -12.725 flat angles P-C4'-P energy: -7.427 tors. eta vs tors. theta energy: -14.182 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: 6 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -146.569646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.569646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.569646 (E_RNA) where: Base-Base interactions energy: -93.122 where: short stacking energy: -51.669 Base-Backbone interact. energy: -0.280 local terms energy: -53.166709 where: bonds (distance) C4'-P energy: -13.320 bonds (distance) P-C4' energy: -9.734 flat angles C4'-P-C4' energy: -9.232 flat angles P-C4'-P energy: -7.473 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: 5, replica: 9 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -108.775153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.775153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.775153 (E_RNA) where: Base-Base interactions energy: -52.333 where: short stacking energy: -52.333 Base-Backbone interact. energy: -0.110 local terms energy: -56.332162 where: bonds (distance) C4'-P energy: -11.433 bonds (distance) P-C4' energy: -12.447 flat angles C4'-P-C4' energy: -13.896 flat angles P-C4'-P energy: -9.049 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: 6, replica: 4 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -93.788058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.788058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.788058 (E_RNA) where: Base-Base interactions energy: -49.464 where: short stacking energy: -49.464 Base-Backbone interact. energy: -0.272 local terms energy: -44.052350 where: bonds (distance) C4'-P energy: -6.574 bonds (distance) P-C4' energy: -10.634 flat angles C4'-P-C4' energy: -12.922 flat angles P-C4'-P energy: -7.390 tors. eta vs tors. theta energy: -6.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -89.988308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.988308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.988308 (E_RNA) where: Base-Base interactions energy: -36.599 where: short stacking energy: -36.599 Base-Backbone interact. energy: -0.246 local terms energy: -53.143553 where: bonds (distance) C4'-P energy: -13.346 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -9.483 flat angles P-C4'-P energy: -9.046 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: 8, replica: 5 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -103.344634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.344634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.344634 (E_RNA) where: Base-Base interactions energy: -59.261 where: short stacking energy: -29.378 Base-Backbone interact. energy: -0.008 local terms energy: -44.076227 where: bonds (distance) C4'-P energy: -10.941 bonds (distance) P-C4' energy: -12.603 flat angles C4'-P-C4' energy: -8.627 flat angles P-C4'-P energy: -5.386 tors. eta vs tors. theta energy: -6.519 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: 1 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -84.214890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.214890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.214890 (E_RNA) where: Base-Base interactions energy: -39.489 where: short stacking energy: -39.489 Base-Backbone interact. energy: -0.340 local terms energy: -44.386045 where: bonds (distance) C4'-P energy: -9.908 bonds (distance) P-C4' energy: -12.200 flat angles C4'-P-C4' energy: -11.688 flat angles P-C4'-P energy: -4.901 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: 7 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -80.946893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.946893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.946893 (E_RNA) where: Base-Base interactions energy: -48.209 where: short stacking energy: -27.911 Base-Backbone interact. energy: -0.967 local terms energy: -31.771049 where: bonds (distance) C4'-P energy: -1.819 bonds (distance) P-C4' energy: -10.201 flat angles C4'-P-C4' energy: -8.104 flat angles P-C4'-P energy: -8.660 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: 1, replica: 3 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -160.939871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.939871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.939871 (E_RNA) where: Base-Base interactions energy: -98.458 where: short stacking energy: -60.895 Base-Backbone interact. energy: -0.028 local terms energy: -62.453463 where: bonds (distance) C4'-P energy: -12.724 bonds (distance) P-C4' energy: -13.876 flat angles C4'-P-C4' energy: -14.569 flat angles P-C4'-P energy: -8.766 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: 2, replica: 8 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -143.207156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.207156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.207156 (E_RNA) where: Base-Base interactions energy: -85.548 where: short stacking energy: -52.842 Base-Backbone interact. energy: -0.734 local terms energy: -56.925756 where: bonds (distance) C4'-P energy: -12.955 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -10.415 flat angles P-C4'-P energy: -8.722 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: 3, replica: 6 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -157.734270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.734270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.734270 (E_RNA) where: Base-Base interactions energy: -94.995 where: short stacking energy: -57.769 Base-Backbone interact. energy: -0.373 local terms energy: -62.366406 where: bonds (distance) C4'-P energy: -15.233 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -12.888 flat angles P-C4'-P energy: -7.929 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: 4, replica: 2 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -132.659678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.659678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.659678 (E_RNA) where: Base-Base interactions energy: -75.856 where: short stacking energy: -46.364 Base-Backbone interact. energy: 0.028 local terms energy: -56.831250 where: bonds (distance) C4'-P energy: -10.258 bonds (distance) P-C4' energy: -11.864 flat angles C4'-P-C4' energy: -14.819 flat angles P-C4'-P energy: -8.596 tors. eta vs tors. theta energy: -11.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -90.406280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.406280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.406280 (E_RNA) where: Base-Base interactions energy: -42.826 where: short stacking energy: -39.944 Base-Backbone interact. energy: -0.068 local terms energy: -47.512158 where: bonds (distance) C4'-P energy: -14.094 bonds (distance) P-C4' energy: -10.930 flat angles C4'-P-C4' energy: -9.861 flat angles P-C4'-P energy: -6.279 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: 6, replica: 9 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -90.514939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.514939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.514939 (E_RNA) where: Base-Base interactions energy: -40.741 where: short stacking energy: -40.741 Base-Backbone interact. energy: -0.066 local terms energy: -49.707767 where: bonds (distance) C4'-P energy: -11.561 bonds (distance) P-C4' energy: -13.412 flat angles C4'-P-C4' energy: -12.454 flat angles P-C4'-P energy: -5.227 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: 7, replica: 5 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -124.784310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.784310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.784310 (E_RNA) where: Base-Base interactions energy: -70.661 where: short stacking energy: -37.945 Base-Backbone interact. energy: -0.129 local terms energy: -53.993851 where: bonds (distance) C4'-P energy: -12.583 bonds (distance) P-C4' energy: -13.760 flat angles C4'-P-C4' energy: -11.497 flat angles P-C4'-P energy: -11.290 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: 8, replica: 10 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -92.676220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.676220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.676220 (E_RNA) where: Base-Base interactions energy: -47.979 where: short stacking energy: -34.693 Base-Backbone interact. energy: -0.126 local terms energy: -44.571809 where: bonds (distance) C4'-P energy: -7.719 bonds (distance) P-C4' energy: -10.338 flat angles C4'-P-C4' energy: -12.328 flat angles P-C4'-P energy: -6.994 tors. eta vs tors. theta energy: -7.192 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: 288 Temperature: 1.300000 Total energy: -80.387751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.387751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.387751 (E_RNA) where: Base-Base interactions energy: -37.533 where: short stacking energy: -37.533 Base-Backbone interact. energy: -0.373 local terms energy: -42.481585 where: bonds (distance) C4'-P energy: -11.079 bonds (distance) P-C4' energy: -12.008 flat angles C4'-P-C4' energy: -12.796 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: -3.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -82.256450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.256450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.256450 (E_RNA) where: Base-Base interactions energy: -34.609 where: short stacking energy: -34.609 Base-Backbone interact. energy: -0.074 local terms energy: -47.573656 where: bonds (distance) C4'-P energy: -12.604 bonds (distance) P-C4' energy: -13.808 flat angles C4'-P-C4' energy: -10.145 flat angles P-C4'-P energy: -6.156 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: 1, replica: 3 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -162.883439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.883439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.883439 (E_RNA) where: Base-Base interactions energy: -104.483 where: short stacking energy: -59.174 Base-Backbone interact. energy: -0.744 local terms energy: -57.656100 where: bonds (distance) C4'-P energy: -13.403 bonds (distance) P-C4' energy: -9.332 flat angles C4'-P-C4' energy: -14.157 flat angles P-C4'-P energy: -7.327 tors. eta vs tors. theta energy: -13.438 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: 2, replica: 6 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -144.639033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.639033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.639033 (E_RNA) where: Base-Base interactions energy: -86.602 where: short stacking energy: -52.928 Base-Backbone interact. energy: -0.017 local terms energy: -58.019675 where: bonds (distance) C4'-P energy: -13.353 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -11.665 flat angles P-C4'-P energy: -8.196 tors. eta vs tors. theta energy: -11.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -137.068528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.068528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.068528 (E_RNA) where: Base-Base interactions energy: -82.196 where: short stacking energy: -41.840 Base-Backbone interact. energy: -0.226 local terms energy: -54.646379 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -11.428 flat angles P-C4'-P energy: -7.206 tors. eta vs tors. theta energy: -7.336 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: 289 Temperature: 1.050000 Total energy: -142.029979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.029979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.029979 (E_RNA) where: Base-Base interactions energy: -82.964 where: short stacking energy: -51.412 Base-Backbone interact. energy: -0.058 local terms energy: -59.008301 where: bonds (distance) C4'-P energy: -12.218 bonds (distance) P-C4' energy: -15.508 flat angles C4'-P-C4' energy: -9.890 flat angles P-C4'-P energy: -9.120 tors. eta vs tors. theta energy: -12.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -96.534598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.534598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.534598 (E_RNA) where: Base-Base interactions energy: -47.923 where: short stacking energy: -47.923 Base-Backbone interact. energy: -0.001 local terms energy: -48.610975 where: bonds (distance) C4'-P energy: -6.344 bonds (distance) P-C4' energy: -15.269 flat angles C4'-P-C4' energy: -9.682 flat angles P-C4'-P energy: -5.222 tors. eta vs tors. theta energy: -12.094 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: 5 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -107.384759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.384759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.384759 (E_RNA) where: Base-Base interactions energy: -65.229 where: short stacking energy: -33.301 Base-Backbone interact. energy: -0.106 local terms energy: -42.049364 where: bonds (distance) C4'-P energy: -12.222 bonds (distance) P-C4' energy: -6.235 flat angles C4'-P-C4' energy: -8.507 flat angles P-C4'-P energy: -10.557 tors. eta vs tors. theta energy: -4.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -104.609709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.609709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.609709 (E_RNA) where: Base-Base interactions energy: -50.905 where: short stacking energy: -29.029 Base-Backbone interact. energy: -0.531 local terms energy: -53.174139 where: bonds (distance) C4'-P energy: -12.703 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -11.562 flat angles P-C4'-P energy: -9.270 tors. eta vs tors. theta energy: -6.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -89.906133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.906133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.906133 (E_RNA) where: Base-Base interactions energy: -46.943 where: short stacking energy: -41.282 Base-Backbone interact. energy: -0.031 local terms energy: -42.932496 where: bonds (distance) C4'-P energy: -10.994 bonds (distance) P-C4' energy: -12.833 flat angles C4'-P-C4' energy: -10.559 flat angles P-C4'-P energy: -2.411 tors. eta vs tors. theta energy: -6.136 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: 9, replica: 10 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -87.046885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.046885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.046885 (E_RNA) where: Base-Base interactions energy: -42.997 where: short stacking energy: -38.177 Base-Backbone interact. energy: 0.148 local terms energy: -44.198205 where: bonds (distance) C4'-P energy: -8.185 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -12.594 flat angles P-C4'-P energy: -6.609 tors. eta vs tors. theta energy: -3.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -85.159793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.159793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.159793 (E_RNA) where: Base-Base interactions energy: -40.062 where: short stacking energy: -35.600 Base-Backbone interact. energy: -0.058 local terms energy: -45.039900 where: bonds (distance) C4'-P energy: -11.374 bonds (distance) P-C4' energy: -12.989 flat angles C4'-P-C4' energy: -9.162 flat angles P-C4'-P energy: -7.126 tors. eta vs tors. theta energy: -4.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -150.632407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.632407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.632407 (E_RNA) where: Base-Base interactions energy: -93.908 where: short stacking energy: -52.550 Base-Backbone interact. energy: -1.592 local terms energy: -55.132339 where: bonds (distance) C4'-P energy: -10.662 bonds (distance) P-C4' energy: -13.873 flat angles C4'-P-C4' energy: -11.777 flat angles P-C4'-P energy: -9.908 tors. eta vs tors. theta energy: -8.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -145.539106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.539106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.539106 (E_RNA) where: Base-Base interactions energy: -89.618 where: short stacking energy: -59.390 Base-Backbone interact. energy: -0.008 local terms energy: -55.912247 where: bonds (distance) C4'-P energy: -12.756 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -12.575 flat angles P-C4'-P energy: -6.975 tors. eta vs tors. theta energy: -13.795 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: 290 Temperature: 1.000000 Total energy: -140.396046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.396046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.396046 (E_RNA) where: Base-Base interactions energy: -83.750 where: short stacking energy: -55.169 Base-Backbone interact. energy: -0.679 local terms energy: -55.967090 where: bonds (distance) C4'-P energy: -14.860 bonds (distance) P-C4' energy: -14.532 flat angles C4'-P-C4' energy: -10.052 flat angles P-C4'-P energy: -4.606 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: 4, replica: 2 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -132.780416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.780416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.780416 (E_RNA) where: Base-Base interactions energy: -79.689 where: short stacking energy: -52.573 Base-Backbone interact. energy: -0.224 local terms energy: -52.867817 where: bonds (distance) C4'-P energy: -12.898 bonds (distance) P-C4' energy: -11.004 flat angles C4'-P-C4' energy: -12.399 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: -11.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -110.696191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.696191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.696191 (E_RNA) where: Base-Base interactions energy: -60.220 where: short stacking energy: -42.230 Base-Backbone interact. energy: -0.029 local terms energy: -50.447866 where: bonds (distance) C4'-P energy: -12.629 bonds (distance) P-C4' energy: -14.432 flat angles C4'-P-C4' energy: -12.750 flat angles P-C4'-P energy: -7.143 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: 6, replica: 4 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -90.084917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.084917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.084917 (E_RNA) where: Base-Base interactions energy: -42.416 where: short stacking energy: -42.416 Base-Backbone interact. energy: -0.110 local terms energy: -47.558778 where: bonds (distance) C4'-P energy: -11.548 bonds (distance) P-C4' energy: -10.909 flat angles C4'-P-C4' energy: -11.407 flat angles P-C4'-P energy: -8.009 tors. eta vs tors. theta energy: -5.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -98.891095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.891095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.891095 (E_RNA) where: Base-Base interactions energy: -54.599 where: short stacking energy: -36.601 Base-Backbone interact. energy: -0.119 local terms energy: -44.173253 where: bonds (distance) C4'-P energy: -12.306 bonds (distance) P-C4' energy: -5.372 flat angles C4'-P-C4' energy: -10.010 flat angles P-C4'-P energy: -5.255 tors. eta vs tors. theta energy: -11.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -80.667016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.667016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.667016 (E_RNA) where: Base-Base interactions energy: -32.443 where: short stacking energy: -28.314 Base-Backbone interact. energy: -0.074 local terms energy: -48.150566 where: bonds (distance) C4'-P energy: -12.123 bonds (distance) P-C4' energy: -12.993 flat angles C4'-P-C4' energy: -10.313 flat angles P-C4'-P energy: -7.220 tors. eta vs tors. theta energy: -5.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -72.440449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.440449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.440449 (E_RNA) where: Base-Base interactions energy: -31.923 where: short stacking energy: -31.923 Base-Backbone interact. energy: -0.135 local terms energy: -40.382984 where: bonds (distance) C4'-P energy: -13.187 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -8.432 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: -1.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -70.515372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.515372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.515372 (E_RNA) where: Base-Base interactions energy: -30.660 where: short stacking energy: -24.534 Base-Backbone interact. energy: -0.140 local terms energy: -39.715618 where: bonds (distance) C4'-P energy: -13.543 bonds (distance) P-C4' energy: -12.075 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -10.098 tors. eta vs tors. theta energy: 0.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -167.213577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.213577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.213577 (E_RNA) where: Base-Base interactions energy: -100.247 where: short stacking energy: -55.333 Base-Backbone interact. energy: -0.077 local terms energy: -66.889406 where: bonds (distance) C4'-P energy: -14.582 bonds (distance) P-C4' energy: -13.169 flat angles C4'-P-C4' energy: -11.082 flat angles P-C4'-P energy: -11.803 tors. eta vs tors. theta energy: -16.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -143.944019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.944019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.944019 (E_RNA) where: Base-Base interactions energy: -87.909 where: short stacking energy: -55.345 Base-Backbone interact. energy: 1.074 local terms energy: -57.108993 where: bonds (distance) C4'-P energy: -13.652 bonds (distance) P-C4' energy: -14.312 flat angles C4'-P-C4' energy: -8.954 flat angles P-C4'-P energy: -8.564 tors. eta vs tors. theta energy: -11.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -154.879190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.879190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.879190 (E_RNA) where: Base-Base interactions energy: -93.519 where: short stacking energy: -61.578 Base-Backbone interact. energy: -0.728 local terms energy: -60.632738 where: bonds (distance) C4'-P energy: -9.378 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -14.521 flat angles P-C4'-P energy: -3.551 tors. eta vs tors. theta energy: -17.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -145.022679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.022679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.022679 (E_RNA) where: Base-Base interactions energy: -84.786 where: short stacking energy: -61.114 Base-Backbone interact. energy: -0.007 local terms energy: -60.229916 where: bonds (distance) C4'-P energy: -12.115 bonds (distance) P-C4' energy: -13.805 flat angles C4'-P-C4' energy: -15.211 flat angles P-C4'-P energy: -8.328 tors. eta vs tors. theta energy: -10.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -105.135055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.135055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.135055 (E_RNA) where: Base-Base interactions energy: -53.236 where: short stacking energy: -50.205 Base-Backbone interact. energy: -0.117 local terms energy: -51.781210 where: bonds (distance) C4'-P energy: -13.373 bonds (distance) P-C4' energy: -12.056 flat angles C4'-P-C4' energy: -7.666 flat angles P-C4'-P energy: -8.932 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: 7 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -109.639677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.639677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.639677 (E_RNA) where: Base-Base interactions energy: -56.700 where: short stacking energy: -53.147 Base-Backbone interact. energy: -1.084 local terms energy: -51.856076 where: bonds (distance) C4'-P energy: -9.896 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -9.840 flat angles P-C4'-P energy: -9.029 tors. eta vs tors. theta energy: -8.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -96.713601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.713601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.713601 (E_RNA) where: Base-Base interactions energy: -44.881 where: short stacking energy: -38.597 Base-Backbone interact. energy: 1.265 local terms energy: -53.097161 where: bonds (distance) C4'-P energy: -12.903 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -10.506 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -9.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -81.365348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.365348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.365348 (E_RNA) where: Base-Base interactions energy: -38.639 where: short stacking energy: -38.601 Base-Backbone interact. energy: -0.024 local terms energy: -42.702754 where: bonds (distance) C4'-P energy: -9.863 bonds (distance) P-C4' energy: -11.086 flat angles C4'-P-C4' energy: -9.056 flat angles P-C4'-P energy: -7.078 tors. eta vs tors. theta energy: -5.620 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: 9, replica: 9 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -79.505666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.505666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.505666 (E_RNA) where: Base-Base interactions energy: -27.542 where: short stacking energy: -22.586 Base-Backbone interact. energy: -0.032 local terms energy: -51.932197 where: bonds (distance) C4'-P energy: -13.100 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -10.421 flat angles P-C4'-P energy: -8.143 tors. eta vs tors. theta energy: -6.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -73.582269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.582269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.582269 (E_RNA) where: Base-Base interactions energy: -36.476 where: short stacking energy: -36.476 Base-Backbone interact. energy: -0.010 local terms energy: -37.096553 where: bonds (distance) C4'-P energy: -9.453 bonds (distance) P-C4' energy: -4.900 flat angles C4'-P-C4' energy: -8.690 flat angles P-C4'-P energy: -6.315 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: 1, replica: 8 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -151.639249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.639249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.639249 (E_RNA) where: Base-Base interactions energy: -88.419 where: short stacking energy: -58.994 Base-Backbone interact. energy: -0.440 local terms energy: -62.780519 where: bonds (distance) C4'-P energy: -14.156 bonds (distance) P-C4' energy: -13.687 flat angles C4'-P-C4' energy: -10.823 flat angles P-C4'-P energy: -9.173 tors. eta vs tors. theta energy: -14.942 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: 3 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -160.438623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.438623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.438623 (E_RNA) where: Base-Base interactions energy: -94.616 where: short stacking energy: -58.089 Base-Backbone interact. energy: -0.002 local terms energy: -65.821357 where: bonds (distance) C4'-P energy: -14.306 bonds (distance) P-C4' energy: -14.261 flat angles C4'-P-C4' energy: -12.551 flat angles P-C4'-P energy: -10.039 tors. eta vs tors. theta energy: -14.665 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: 2 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -132.130774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.130774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.130774 (E_RNA) where: Base-Base interactions energy: -78.165 where: short stacking energy: -53.164 Base-Backbone interact. energy: -0.012 local terms energy: -53.954277 where: bonds (distance) C4'-P energy: -10.313 bonds (distance) P-C4' energy: -14.230 flat angles C4'-P-C4' energy: -10.157 flat angles P-C4'-P energy: -6.743 tors. eta vs tors. theta energy: -12.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -140.108128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.108128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.108128 (E_RNA) where: Base-Base interactions energy: -84.736 where: short stacking energy: -59.343 Base-Backbone interact. energy: -0.493 local terms energy: -54.878968 where: bonds (distance) C4'-P energy: -13.250 bonds (distance) P-C4' energy: -12.732 flat angles C4'-P-C4' energy: -9.664 flat angles P-C4'-P energy: -5.500 tors. eta vs tors. theta energy: -13.733 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: 7 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -115.466108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.466108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.466108 (E_RNA) where: Base-Base interactions energy: -63.427 where: short stacking energy: -39.022 Base-Backbone interact. energy: -0.087 local terms energy: -51.952258 where: bonds (distance) C4'-P energy: -13.182 bonds (distance) P-C4' energy: -14.303 flat angles C4'-P-C4' energy: -9.719 flat angles P-C4'-P energy: -9.037 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: 292 Temperature: 1.150000 Total energy: -85.641449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.641449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.641449 (E_RNA) where: Base-Base interactions energy: -46.089 where: short stacking energy: -31.341 Base-Backbone interact. energy: -0.102 local terms energy: -39.451107 where: bonds (distance) C4'-P energy: -12.327 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -4.910 flat angles P-C4'-P energy: -3.989 tors. eta vs tors. theta energy: -3.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -90.479076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.479076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.479076 (E_RNA) where: Base-Base interactions energy: -39.270 where: short stacking energy: -35.008 Base-Backbone interact. energy: 0.158 local terms energy: -51.367740 where: bonds (distance) C4'-P energy: -12.414 bonds (distance) P-C4' energy: -11.775 flat angles C4'-P-C4' energy: -13.208 flat angles P-C4'-P energy: -6.927 tors. eta vs tors. theta energy: -7.043 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: 8, replica: 4 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -93.898363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.898363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.898363 (E_RNA) where: Base-Base interactions energy: -46.928 where: short stacking energy: -38.028 Base-Backbone interact. energy: -0.001 local terms energy: -46.969687 where: bonds (distance) C4'-P energy: -9.551 bonds (distance) P-C4' energy: -14.727 flat angles C4'-P-C4' energy: -8.266 flat angles P-C4'-P energy: -6.420 tors. eta vs tors. theta energy: -8.005 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: 1 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -83.857681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.857681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.857681 (E_RNA) where: Base-Base interactions energy: -37.117 where: short stacking energy: -37.117 Base-Backbone interact. energy: -0.010 local terms energy: -46.730593 where: bonds (distance) C4'-P energy: -10.695 bonds (distance) P-C4' energy: -12.135 flat angles C4'-P-C4' energy: -11.871 flat angles P-C4'-P energy: -7.010 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: 10, replica: 9 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -84.631283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.631283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.631283 (E_RNA) where: Base-Base interactions energy: -38.347 where: short stacking energy: -31.483 Base-Backbone interact. energy: -0.085 local terms energy: -46.198810 where: bonds (distance) C4'-P energy: -12.309 bonds (distance) P-C4' energy: -11.655 flat angles C4'-P-C4' energy: -8.921 flat angles P-C4'-P energy: -10.243 tors. eta vs tors. theta energy: -3.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -149.588481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.588481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.588481 (E_RNA) where: Base-Base interactions energy: -92.812 where: short stacking energy: -55.575 Base-Backbone interact. energy: 0.399 local terms energy: -57.175545 where: bonds (distance) C4'-P energy: -12.549 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -13.996 flat angles P-C4'-P energy: -8.480 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: 2, replica: 2 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -146.211346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.211346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.211346 (E_RNA) where: Base-Base interactions energy: -88.542 where: short stacking energy: -54.977 Base-Backbone interact. energy: -0.176 local terms energy: -57.493712 where: bonds (distance) C4'-P energy: -9.978 bonds (distance) P-C4' energy: -14.243 flat angles C4'-P-C4' energy: -13.334 flat angles P-C4'-P energy: -7.121 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: 3, replica: 3 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -151.617135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.617135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.617135 (E_RNA) where: Base-Base interactions energy: -89.563 where: short stacking energy: -55.586 Base-Backbone interact. energy: -0.096 local terms energy: -61.958190 where: bonds (distance) C4'-P energy: -9.515 bonds (distance) P-C4' energy: -13.653 flat angles C4'-P-C4' energy: -12.608 flat angles P-C4'-P energy: -10.327 tors. eta vs tors. theta energy: -15.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -105.388782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.388782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.388782 (E_RNA) where: Base-Base interactions energy: -51.638 where: short stacking energy: -51.638 Base-Backbone interact. energy: -0.000 local terms energy: -53.749874 where: bonds (distance) C4'-P energy: -12.281 bonds (distance) P-C4' energy: -9.960 flat angles C4'-P-C4' energy: -14.381 flat angles P-C4'-P energy: -7.209 tors. eta vs tors. theta energy: -9.918 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: 293 Temperature: 1.100000 Total energy: -135.095364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.095364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.095364 (E_RNA) where: Base-Base interactions energy: -82.611 where: short stacking energy: -53.276 Base-Backbone interact. energy: 0.739 local terms energy: -53.223825 where: bonds (distance) C4'-P energy: -13.038 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -13.569 flat angles P-C4'-P energy: -7.208 tors. eta vs tors. theta energy: -12.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -93.007794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.007794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.007794 (E_RNA) where: Base-Base interactions energy: -47.178 where: short stacking energy: -41.761 Base-Backbone interact. energy: -0.012 local terms energy: -45.817044 where: bonds (distance) C4'-P energy: -8.758 bonds (distance) P-C4' energy: -8.295 flat angles C4'-P-C4' energy: -12.402 flat angles P-C4'-P energy: -7.546 tors. eta vs tors. theta energy: -8.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -80.147445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.147445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.147445 (E_RNA) where: Base-Base interactions energy: -35.154 where: short stacking energy: -35.154 Base-Backbone interact. energy: -0.110 local terms energy: -44.883391 where: bonds (distance) C4'-P energy: -11.081 bonds (distance) P-C4' energy: -11.875 flat angles C4'-P-C4' energy: -11.632 flat angles P-C4'-P energy: -6.919 tors. eta vs tors. theta energy: -3.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -82.711261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.711261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.711261 (E_RNA) where: Base-Base interactions energy: -39.853 where: short stacking energy: -37.505 Base-Backbone interact. energy: -0.029 local terms energy: -42.829272 where: bonds (distance) C4'-P energy: -9.854 bonds (distance) P-C4' energy: -8.301 flat angles C4'-P-C4' energy: -13.681 flat angles P-C4'-P energy: -6.757 tors. eta vs tors. theta energy: -4.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -80.781251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.781251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.781251 (E_RNA) where: Base-Base interactions energy: -40.086 where: short stacking energy: -27.866 Base-Backbone interact. energy: -0.144 local terms energy: -40.550646 where: bonds (distance) C4'-P energy: -7.420 bonds (distance) P-C4' energy: -13.453 flat angles C4'-P-C4' energy: -10.324 flat angles P-C4'-P energy: -6.937 tors. eta vs tors. theta energy: -2.417 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: 10, replica: 9 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -69.613697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.613697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.613697 (E_RNA) where: Base-Base interactions energy: -31.383 where: short stacking energy: -26.393 Base-Backbone interact. energy: -0.563 local terms energy: -37.667273 where: bonds (distance) C4'-P energy: -10.373 bonds (distance) P-C4' energy: -10.544 flat angles C4'-P-C4' energy: -11.943 flat angles P-C4'-P energy: -3.388 tors. eta vs tors. theta energy: -1.420 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: 2 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -160.238560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.238560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.238560 (E_RNA) where: Base-Base interactions energy: -96.204 where: short stacking energy: -55.117 Base-Backbone interact. energy: -0.261 local terms energy: -63.773229 where: bonds (distance) C4'-P energy: -15.071 bonds (distance) P-C4' energy: -10.560 flat angles C4'-P-C4' energy: -13.793 flat angles P-C4'-P energy: -10.290 tors. eta vs tors. theta energy: -14.059 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: 8 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -146.026467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.026467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.026467 (E_RNA) where: Base-Base interactions energy: -90.112 where: short stacking energy: -55.770 Base-Backbone interact. energy: -0.017 local terms energy: -55.897504 where: bonds (distance) C4'-P energy: -11.167 bonds (distance) P-C4' energy: -12.892 flat angles C4'-P-C4' energy: -15.132 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: -12.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -140.116136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.116136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.116136 (E_RNA) where: Base-Base interactions energy: -85.360 where: short stacking energy: -54.592 Base-Backbone interact. energy: -0.056 local terms energy: -54.699337 where: bonds (distance) C4'-P energy: -11.938 bonds (distance) P-C4' energy: -12.570 flat angles C4'-P-C4' energy: -10.449 flat angles P-C4'-P energy: -5.728 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: 4, replica: 7 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -98.351090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.351090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.351090 (E_RNA) where: Base-Base interactions energy: -57.557 where: short stacking energy: -37.403 Base-Backbone interact. energy: -0.004 local terms energy: -40.789899 where: bonds (distance) C4'-P energy: -5.847 bonds (distance) P-C4' energy: -13.723 flat angles C4'-P-C4' energy: -7.104 flat angles P-C4'-P energy: -9.615 tors. eta vs tors. theta energy: -4.501 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: 6 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -141.491679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.491679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.491679 (E_RNA) where: Base-Base interactions energy: -83.622 where: short stacking energy: -55.365 Base-Backbone interact. energy: -0.203 local terms energy: -57.666403 where: bonds (distance) C4'-P energy: -10.943 bonds (distance) P-C4' energy: -10.201 flat angles C4'-P-C4' energy: -15.427 flat angles P-C4'-P energy: -10.214 tors. eta vs tors. theta energy: -10.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -92.775602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.775602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.775602 (E_RNA) where: Base-Base interactions energy: -46.219 where: short stacking energy: -32.856 Base-Backbone interact. energy: -0.108 local terms energy: -46.448677 where: bonds (distance) C4'-P energy: -8.517 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -13.046 flat angles P-C4'-P energy: -7.179 tors. eta vs tors. theta energy: -4.421 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: 294 Temperature: 1.200000 Total energy: -82.540574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.540574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.540574 (E_RNA) where: Base-Base interactions energy: -41.457 where: short stacking energy: -32.643 Base-Backbone interact. energy: 1.740 local terms energy: -42.824005 where: bonds (distance) C4'-P energy: -14.711 bonds (distance) P-C4' energy: -13.004 flat angles C4'-P-C4' energy: -10.137 flat angles P-C4'-P energy: -0.104 tors. eta vs tors. theta energy: -4.868 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: 8, replica: 1 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -79.875564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.875564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.875564 (E_RNA) where: Base-Base interactions energy: -39.749 where: short stacking energy: -39.744 Base-Backbone interact. energy: -0.018 local terms energy: -40.107882 where: bonds (distance) C4'-P energy: -15.704 bonds (distance) P-C4' energy: -12.010 flat angles C4'-P-C4' energy: -10.553 flat angles P-C4'-P energy: 1.394 tors. eta vs tors. theta energy: -3.234 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: 9 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -101.837840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.837840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.837840 (E_RNA) where: Base-Base interactions energy: -63.348 where: short stacking energy: -39.673 Base-Backbone interact. energy: -0.077 local terms energy: -38.412899 where: bonds (distance) C4'-P energy: -7.913 bonds (distance) P-C4' energy: -10.416 flat angles C4'-P-C4' energy: -11.447 flat angles P-C4'-P energy: 1.316 tors. eta vs tors. theta energy: -9.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -77.627253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.627253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.627253 (E_RNA) where: Base-Base interactions energy: -33.085 where: short stacking energy: -36.127 Base-Backbone interact. energy: -0.340 local terms energy: -44.202793 where: bonds (distance) C4'-P energy: -8.713 bonds (distance) P-C4' energy: -8.462 flat angles C4'-P-C4' energy: -12.665 flat angles P-C4'-P energy: -6.578 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: 1, replica: 2 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -169.022229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.022229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.022229 (E_RNA) where: Base-Base interactions energy: -102.283 where: short stacking energy: -64.560 Base-Backbone interact. energy: -0.113 local terms energy: -66.626777 where: bonds (distance) C4'-P energy: -13.508 bonds (distance) P-C4' energy: -12.486 flat angles C4'-P-C4' energy: -13.843 flat angles P-C4'-P energy: -11.601 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: 3 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -149.958892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.958892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.958892 (E_RNA) where: Base-Base interactions energy: -87.030 where: short stacking energy: -58.497 Base-Backbone interact. energy: -0.026 local terms energy: -62.902712 where: bonds (distance) C4'-P energy: -11.051 bonds (distance) P-C4' energy: -13.786 flat angles C4'-P-C4' energy: -12.231 flat angles P-C4'-P energy: -9.945 tors. eta vs tors. theta energy: -15.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -147.010812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.010812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.010812 (E_RNA) where: Base-Base interactions energy: -89.363 where: short stacking energy: -49.370 Base-Backbone interact. energy: -0.122 local terms energy: -57.524984 where: bonds (distance) C4'-P energy: -12.185 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -12.696 flat angles P-C4'-P energy: -7.718 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: 4, replica: 6 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -157.944790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.944790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.944790 (E_RNA) where: Base-Base interactions energy: -98.159 where: short stacking energy: -59.682 Base-Backbone interact. energy: -0.122 local terms energy: -59.663696 where: bonds (distance) C4'-P energy: -14.554 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -14.718 flat angles P-C4'-P energy: -5.837 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: 5, replica: 7 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -94.347658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.347658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.347658 (E_RNA) where: Base-Base interactions energy: -44.084 where: short stacking energy: -42.198 Base-Backbone interact. energy: -0.078 local terms energy: -50.185804 where: bonds (distance) C4'-P energy: -9.350 bonds (distance) P-C4' energy: -13.838 flat angles C4'-P-C4' energy: -11.086 flat angles P-C4'-P energy: -7.457 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: 5 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -107.364422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.364422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.364422 (E_RNA) where: Base-Base interactions energy: -58.316 where: short stacking energy: -41.066 Base-Backbone interact. energy: -0.278 local terms energy: -48.770215 where: bonds (distance) C4'-P energy: -12.182 bonds (distance) P-C4' energy: -13.940 flat angles C4'-P-C4' energy: -11.437 flat angles P-C4'-P energy: -5.968 tors. eta vs tors. theta energy: -5.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -84.632368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.632368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.632368 (E_RNA) where: Base-Base interactions energy: -34.667 where: short stacking energy: -34.667 Base-Backbone interact. energy: -0.288 local terms energy: -49.677387 where: bonds (distance) C4'-P energy: -11.162 bonds (distance) P-C4' energy: -10.164 flat angles C4'-P-C4' energy: -11.694 flat angles P-C4'-P energy: -7.497 tors. eta vs tors. theta energy: -9.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -126.261838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.261838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.261838 (E_RNA) where: Base-Base interactions energy: -74.781 where: short stacking energy: -40.943 Base-Backbone interact. energy: -0.174 local terms energy: -51.306583 where: bonds (distance) C4'-P energy: -13.001 bonds (distance) P-C4' energy: -10.191 flat angles C4'-P-C4' energy: -12.597 flat angles P-C4'-P energy: -5.364 tors. eta vs tors. theta energy: -10.153 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: 1 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -79.630963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.630963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.630963 (E_RNA) where: Base-Base interactions energy: -41.993 where: short stacking energy: -36.653 Base-Backbone interact. energy: -0.339 local terms energy: -37.298590 where: bonds (distance) C4'-P energy: -10.766 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -7.370 flat angles P-C4'-P energy: -2.790 tors. eta vs tors. theta energy: -0.378 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: 10, replica: 4 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -78.903774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.903774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.903774 (E_RNA) where: Base-Base interactions energy: -29.640 where: short stacking energy: -27.821 Base-Backbone interact. energy: -1.420 local terms energy: -47.843656 where: bonds (distance) C4'-P energy: -12.903 bonds (distance) P-C4' energy: -13.627 flat angles C4'-P-C4' energy: -12.079 flat angles P-C4'-P energy: -6.775 tors. eta vs tors. theta energy: -2.459 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: 3 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -139.592572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.592572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.592572 (E_RNA) where: Base-Base interactions energy: -80.748 where: short stacking energy: -49.864 Base-Backbone interact. energy: 0.419 local terms energy: -59.263668 where: bonds (distance) C4'-P energy: -10.000 bonds (distance) P-C4' energy: -15.538 flat angles C4'-P-C4' energy: -14.298 flat angles P-C4'-P energy: -9.807 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: 2, replica: 2 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -162.693665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.693665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.693665 (E_RNA) where: Base-Base interactions energy: -103.348 where: short stacking energy: -57.045 Base-Backbone interact. energy: -0.340 local terms energy: -59.005511 where: bonds (distance) C4'-P energy: -11.333 bonds (distance) P-C4' energy: -11.682 flat angles C4'-P-C4' energy: -13.746 flat angles P-C4'-P energy: -9.490 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: 3, replica: 6 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -150.991683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.991683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.991683 (E_RNA) where: Base-Base interactions energy: -94.619 where: short stacking energy: -61.087 Base-Backbone interact. energy: -0.004 local terms energy: -56.368347 where: bonds (distance) C4'-P energy: -11.713 bonds (distance) P-C4' energy: -13.069 flat angles C4'-P-C4' energy: -13.779 flat angles P-C4'-P energy: -6.739 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: 4, replica: 8 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -144.033388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.033388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.033388 (E_RNA) where: Base-Base interactions energy: -83.859 where: short stacking energy: -50.170 Base-Backbone interact. energy: -0.121 local terms energy: -60.053296 where: bonds (distance) C4'-P energy: -12.157 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -14.242 flat angles P-C4'-P energy: -7.982 tors. eta vs tors. theta energy: -11.883 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: 296 Temperature: 1.100000 Total energy: -108.387385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.387385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.387385 (E_RNA) where: Base-Base interactions energy: -51.910 where: short stacking energy: -51.910 Base-Backbone interact. energy: -0.004 local terms energy: -56.473166 where: bonds (distance) C4'-P energy: -9.768 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -13.162 flat angles P-C4'-P energy: -9.482 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: 6, replica: 5 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -86.494388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.494388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.494388 (E_RNA) where: Base-Base interactions energy: -42.442 where: short stacking energy: -34.817 Base-Backbone interact. energy: -0.319 local terms energy: -43.733939 where: bonds (distance) C4'-P energy: -8.533 bonds (distance) P-C4' energy: -16.467 flat angles C4'-P-C4' energy: -7.507 flat angles P-C4'-P energy: -10.715 tors. eta vs tors. theta energy: -0.511 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: 9 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -114.438579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.438579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.438579 (E_RNA) where: Base-Base interactions energy: -69.760 where: short stacking energy: -37.512 Base-Backbone interact. energy: 0.112 local terms energy: -44.791365 where: bonds (distance) C4'-P energy: -10.195 bonds (distance) P-C4' energy: -10.203 flat angles C4'-P-C4' energy: -11.008 flat angles P-C4'-P energy: -6.784 tors. eta vs tors. theta energy: -6.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -91.266164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.266164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.266164 (E_RNA) where: Base-Base interactions energy: -50.172 where: short stacking energy: -34.376 Base-Backbone interact. energy: -1.568 local terms energy: -39.526447 where: bonds (distance) C4'-P energy: -11.673 bonds (distance) P-C4' energy: -12.203 flat angles C4'-P-C4' energy: -10.426 flat angles P-C4'-P energy: -7.189 tors. eta vs tors. theta energy: 1.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -70.607901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.607901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.607901 (E_RNA) where: Base-Base interactions energy: -26.631 where: short stacking energy: -26.631 Base-Backbone interact. energy: -0.077 local terms energy: -43.899505 where: bonds (distance) C4'-P energy: -4.883 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -12.650 flat angles P-C4'-P energy: -8.921 tors. eta vs tors. theta energy: -1.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -75.250194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.250194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.250194 (E_RNA) where: Base-Base interactions energy: -31.822 where: short stacking energy: -25.592 Base-Backbone interact. energy: 0.105 local terms energy: -43.534142 where: bonds (distance) C4'-P energy: -11.672 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -8.307 flat angles P-C4'-P energy: -7.908 tors. eta vs tors. theta energy: -0.497 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: 3 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -150.214689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.214689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.214689 (E_RNA) where: Base-Base interactions energy: -91.674 where: short stacking energy: -60.334 Base-Backbone interact. energy: -0.096 local terms energy: -58.444138 where: bonds (distance) C4'-P energy: -11.457 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -12.152 flat angles P-C4'-P energy: -9.332 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: 2, replica: 6 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -143.236196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.236196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.236196 (E_RNA) where: Base-Base interactions energy: -83.392 where: short stacking energy: -52.752 Base-Backbone interact. energy: -0.139 local terms energy: -59.705481 where: bonds (distance) C4'-P energy: -13.942 bonds (distance) P-C4' energy: -12.894 flat angles C4'-P-C4' energy: -12.754 flat angles P-C4'-P energy: -11.988 tors. eta vs tors. theta energy: -8.127 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: 297 Temperature: 1.000000 Total energy: -147.042365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.042365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.042365 (E_RNA) where: Base-Base interactions energy: -85.517 where: short stacking energy: -50.631 Base-Backbone interact. energy: -0.183 local terms energy: -61.342567 where: bonds (distance) C4'-P energy: -11.938 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -12.780 flat angles P-C4'-P energy: -11.161 tors. eta vs tors. theta energy: -9.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -147.338685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.338685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.338685 (E_RNA) where: Base-Base interactions energy: -86.707 where: short stacking energy: -59.484 Base-Backbone interact. energy: -0.079 local terms energy: -60.552932 where: bonds (distance) C4'-P energy: -14.608 bonds (distance) P-C4' energy: -10.935 flat angles C4'-P-C4' energy: -13.856 flat angles P-C4'-P energy: -9.428 tors. eta vs tors. theta energy: -11.726 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: 7 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -114.319665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.319665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.319665 (E_RNA) where: Base-Base interactions energy: -57.275 where: short stacking energy: -57.044 Base-Backbone interact. energy: -0.001 local terms energy: -57.044099 where: bonds (distance) C4'-P energy: -12.161 bonds (distance) P-C4' energy: -9.244 flat angles C4'-P-C4' energy: -14.738 flat angles P-C4'-P energy: -6.606 tors. eta vs tors. theta energy: -14.297 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: 6, replica: 9 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -92.889588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.889588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.889588 (E_RNA) where: Base-Base interactions energy: -39.964 where: short stacking energy: -29.409 Base-Backbone interact. energy: -0.466 local terms energy: -52.459252 where: bonds (distance) C4'-P energy: -12.053 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -16.055 flat angles P-C4'-P energy: -5.909 tors. eta vs tors. theta energy: -4.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -100.010866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.010866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.010866 (E_RNA) where: Base-Base interactions energy: -47.651 where: short stacking energy: -44.050 Base-Backbone interact. energy: -0.007 local terms energy: -52.353290 where: bonds (distance) C4'-P energy: -13.642 bonds (distance) P-C4' energy: -12.566 flat angles C4'-P-C4' energy: -12.540 flat angles P-C4'-P energy: -7.398 tors. eta vs tors. theta energy: -6.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -92.973625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.973625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.973625 (E_RNA) where: Base-Base interactions energy: -44.224 where: short stacking energy: -38.488 Base-Backbone interact. energy: -0.078 local terms energy: -48.671983 where: bonds (distance) C4'-P energy: -8.936 bonds (distance) P-C4' energy: -9.775 flat angles C4'-P-C4' energy: -14.208 flat angles P-C4'-P energy: -9.529 tors. eta vs tors. theta energy: -6.224 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: 10 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -79.334808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.334808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.334808 (E_RNA) where: Base-Base interactions energy: -38.141 where: short stacking energy: -15.666 Base-Backbone interact. energy: 1.349 local terms energy: -42.543171 where: bonds (distance) C4'-P energy: -13.623 bonds (distance) P-C4' energy: -14.037 flat angles C4'-P-C4' energy: -9.848 flat angles P-C4'-P energy: -8.808 tors. eta vs tors. theta energy: 3.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -73.039237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.039237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.039237 (E_RNA) where: Base-Base interactions energy: -36.522 where: short stacking energy: -23.472 Base-Backbone interact. energy: -0.613 local terms energy: -35.903689 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -14.924 flat angles C4'-P-C4' energy: -2.106 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: 0.015 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: 1, replica: 6 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -166.291882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.291882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.291882 (E_RNA) where: Base-Base interactions energy: -99.007 where: short stacking energy: -61.319 Base-Backbone interact. energy: -0.364 local terms energy: -66.920651 where: bonds (distance) C4'-P energy: -11.710 bonds (distance) P-C4' energy: -14.196 flat angles C4'-P-C4' energy: -14.276 flat angles P-C4'-P energy: -8.310 tors. eta vs tors. theta energy: -18.429 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: 3 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -150.794695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.794695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.794695 (E_RNA) where: Base-Base interactions energy: -93.026 where: short stacking energy: -57.072 Base-Backbone interact. energy: 1.651 local terms energy: -59.420098 where: bonds (distance) C4'-P energy: -10.199 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -13.435 flat angles P-C4'-P energy: -10.284 tors. eta vs tors. theta energy: -10.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -146.057771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.057771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.057771 (E_RNA) where: Base-Base interactions energy: -87.134 where: short stacking energy: -55.530 Base-Backbone interact. energy: -0.107 local terms energy: -58.817012 where: bonds (distance) C4'-P energy: -13.411 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -11.005 flat angles P-C4'-P energy: -9.371 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: 4, replica: 2 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -138.711776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.711776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.711776 (E_RNA) where: Base-Base interactions energy: -83.673 where: short stacking energy: -56.166 Base-Backbone interact. energy: 0.102 local terms energy: -55.140645 where: bonds (distance) C4'-P energy: -11.663 bonds (distance) P-C4' energy: -11.937 flat angles C4'-P-C4' energy: -12.848 flat angles P-C4'-P energy: -5.060 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: 5, replica: 9 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -97.214619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.214619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.214619 (E_RNA) where: Base-Base interactions energy: -43.926 where: short stacking energy: -42.454 Base-Backbone interact. energy: -0.142 local terms energy: -53.145780 where: bonds (distance) C4'-P energy: -12.645 bonds (distance) P-C4' energy: -12.576 flat angles C4'-P-C4' energy: -14.267 flat angles P-C4'-P energy: -10.663 tors. eta vs tors. theta energy: -2.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -118.610631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.610631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.610631 (E_RNA) where: Base-Base interactions energy: -64.802 where: short stacking energy: -61.817 Base-Backbone interact. energy: -0.040 local terms energy: -53.768220 where: bonds (distance) C4'-P energy: -7.934 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -12.610 flat angles P-C4'-P energy: -9.342 tors. eta vs tors. theta energy: -14.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -94.741131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.741131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.741131 (E_RNA) where: Base-Base interactions energy: -40.603 where: short stacking energy: -40.603 Base-Backbone interact. energy: -0.175 local terms energy: -53.963509 where: bonds (distance) C4'-P energy: -11.805 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -11.037 flat angles P-C4'-P energy: -7.655 tors. eta vs tors. theta energy: -9.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -114.950206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.950206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.950206 (E_RNA) where: Base-Base interactions energy: -62.269 where: short stacking energy: -41.213 Base-Backbone interact. energy: -0.439 local terms energy: -52.241666 where: bonds (distance) C4'-P energy: -12.797 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -10.383 flat angles P-C4'-P energy: -6.781 tors. eta vs tors. theta energy: -7.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -79.134523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.134523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.134523 (E_RNA) where: Base-Base interactions energy: -34.085 where: short stacking energy: -34.085 Base-Backbone interact. energy: -0.054 local terms energy: -44.994841 where: bonds (distance) C4'-P energy: -11.147 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -12.190 flat angles P-C4'-P energy: -3.870 tors. eta vs tors. theta energy: -2.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -86.022858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.022858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.022858 (E_RNA) where: Base-Base interactions energy: -35.467 where: short stacking energy: -35.467 Base-Backbone interact. energy: -0.359 local terms energy: -50.196770 where: bonds (distance) C4'-P energy: -11.875 bonds (distance) P-C4' energy: -13.395 flat angles C4'-P-C4' energy: -13.878 flat angles P-C4'-P energy: -5.603 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: 1, replica: 6 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -172.313511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.313511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.313511 (E_RNA) where: Base-Base interactions energy: -106.549 where: short stacking energy: -67.001 Base-Backbone interact. energy: -0.324 local terms energy: -65.440894 where: bonds (distance) C4'-P energy: -10.454 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -12.048 flat angles P-C4'-P energy: -9.767 tors. eta vs tors. theta energy: -19.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -147.174164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.174164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.174164 (E_RNA) where: Base-Base interactions energy: -88.799 where: short stacking energy: -56.493 Base-Backbone interact. energy: -0.099 local terms energy: -58.276369 where: bonds (distance) C4'-P energy: -11.046 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -13.482 flat angles P-C4'-P energy: -7.918 tors. eta vs tors. theta energy: -12.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -143.171735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.171735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.171735 (E_RNA) where: Base-Base interactions energy: -85.033 where: short stacking energy: -53.698 Base-Backbone interact. energy: -0.012 local terms energy: -58.126703 where: bonds (distance) C4'-P energy: -11.262 bonds (distance) P-C4' energy: -12.388 flat angles C4'-P-C4' energy: -11.850 flat angles P-C4'-P energy: -9.716 tors. eta vs tors. theta energy: -12.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -146.384032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.384032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.384032 (E_RNA) where: Base-Base interactions energy: -84.234 where: short stacking energy: -55.105 Base-Backbone interact. energy: -0.129 local terms energy: -62.020388 where: bonds (distance) C4'-P energy: -12.422 bonds (distance) P-C4' energy: -14.783 flat angles C4'-P-C4' energy: -10.647 flat angles P-C4'-P energy: -7.958 tors. eta vs tors. theta energy: -16.211 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: 9 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -102.598711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.598711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.598711 (E_RNA) where: Base-Base interactions energy: -51.285 where: short stacking energy: -39.820 Base-Backbone interact. energy: -0.753 local terms energy: -50.560567 where: bonds (distance) C4'-P energy: -14.536 bonds (distance) P-C4' energy: -12.638 flat angles C4'-P-C4' energy: -12.891 flat angles P-C4'-P energy: -8.538 tors. eta vs tors. theta energy: -1.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -105.795144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.795144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.795144 (E_RNA) where: Base-Base interactions energy: -54.466 where: short stacking energy: -44.670 Base-Backbone interact. energy: -0.068 local terms energy: -51.261453 where: bonds (distance) C4'-P energy: -10.593 bonds (distance) P-C4' energy: -9.312 flat angles C4'-P-C4' energy: -12.548 flat angles P-C4'-P energy: -10.180 tors. eta vs tors. theta energy: -8.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -100.050444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.050444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.050444 (E_RNA) where: Base-Base interactions energy: -49.847 where: short stacking energy: -35.517 Base-Backbone interact. energy: -0.018 local terms energy: -50.186042 where: bonds (distance) C4'-P energy: -11.598 bonds (distance) P-C4' energy: -16.035 flat angles C4'-P-C4' energy: -10.534 flat angles P-C4'-P energy: -5.811 tors. eta vs tors. theta energy: -6.209 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: 1 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -79.656618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.656618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.656618 (E_RNA) where: Base-Base interactions energy: -33.786 where: short stacking energy: -32.346 Base-Backbone interact. energy: -0.130 local terms energy: -45.740971 where: bonds (distance) C4'-P energy: -11.868 bonds (distance) P-C4' energy: -12.375 flat angles C4'-P-C4' energy: -9.772 flat angles P-C4'-P energy: -8.551 tors. eta vs tors. theta energy: -3.175 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: 5 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -98.118581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.118581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.118581 (E_RNA) where: Base-Base interactions energy: -55.145 where: short stacking energy: -28.485 Base-Backbone interact. energy: -0.014 local terms energy: -42.959857 where: bonds (distance) C4'-P energy: -11.821 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -10.720 flat angles P-C4'-P energy: -5.494 tors. eta vs tors. theta energy: -1.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -72.754500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.754500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.754500 (E_RNA) where: Base-Base interactions energy: -34.054 where: short stacking energy: -23.023 Base-Backbone interact. energy: 0.958 local terms energy: -39.658580 where: bonds (distance) C4'-P energy: -11.791 bonds (distance) P-C4' energy: -7.064 flat angles C4'-P-C4' energy: -8.958 flat angles P-C4'-P energy: -9.549 tors. eta vs tors. theta energy: -2.297 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: 8 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -159.713683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.713683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.713683 (E_RNA) where: Base-Base interactions energy: -95.262 where: short stacking energy: -59.858 Base-Backbone interact. energy: -0.011 local terms energy: -64.440776 where: bonds (distance) C4'-P energy: -14.786 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -14.078 flat angles P-C4'-P energy: -9.057 tors. eta vs tors. theta energy: -12.988 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: 6 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -166.642087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.642087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.642087 (E_RNA) where: Base-Base interactions energy: -106.643 where: short stacking energy: -67.557 Base-Backbone interact. energy: -0.008 local terms energy: -59.991268 where: bonds (distance) C4'-P energy: -10.910 bonds (distance) P-C4' energy: -12.619 flat angles C4'-P-C4' energy: -11.646 flat angles P-C4'-P energy: -9.481 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: 3, replica: 2 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -139.750650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.750650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.750650 (E_RNA) where: Base-Base interactions energy: -84.800 where: short stacking energy: -47.470 Base-Backbone interact. energy: -0.003 local terms energy: -54.947203 where: bonds (distance) C4'-P energy: -11.909 bonds (distance) P-C4' energy: -14.491 flat angles C4'-P-C4' energy: -11.338 flat angles P-C4'-P energy: -5.728 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: 4, replica: 3 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -144.447505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.447505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.447505 (E_RNA) where: Base-Base interactions energy: -79.350 where: short stacking energy: -44.672 Base-Backbone interact. energy: -0.275 local terms energy: -64.821991 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -14.900 flat angles P-C4'-P energy: -10.132 tors. eta vs tors. theta energy: -11.675 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: 4 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -101.984701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.984701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.984701 (E_RNA) where: Base-Base interactions energy: -52.353 where: short stacking energy: -34.710 Base-Backbone interact. energy: -0.383 local terms energy: -49.249085 where: bonds (distance) C4'-P energy: -12.983 bonds (distance) P-C4' energy: -12.280 flat angles C4'-P-C4' energy: -10.251 flat angles P-C4'-P energy: -10.300 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: 6, replica: 9 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -103.573772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.573772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.573772 (E_RNA) where: Base-Base interactions energy: -53.172 where: short stacking energy: -48.213 Base-Backbone interact. energy: 2.365 local terms energy: -52.766229 where: bonds (distance) C4'-P energy: -9.904 bonds (distance) P-C4' energy: -9.329 flat angles C4'-P-C4' energy: -14.603 flat angles P-C4'-P energy: -9.272 tors. eta vs tors. theta energy: -9.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -94.664909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.664909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.664909 (E_RNA) where: Base-Base interactions energy: -43.468 where: short stacking energy: -43.468 Base-Backbone interact. energy: -0.009 local terms energy: -51.188380 where: bonds (distance) C4'-P energy: -10.513 bonds (distance) P-C4' energy: -14.039 flat angles C4'-P-C4' energy: -10.789 flat angles P-C4'-P energy: -8.566 tors. eta vs tors. theta energy: -7.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -82.583572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.583572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.583572 (E_RNA) where: Base-Base interactions energy: -30.844 where: short stacking energy: -28.365 Base-Backbone interact. energy: -0.004 local terms energy: -51.736448 where: bonds (distance) C4'-P energy: -13.789 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -12.328 flat angles P-C4'-P energy: -9.576 tors. eta vs tors. theta energy: -1.209 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: 10 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -92.536151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.536151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.536151 (E_RNA) where: Base-Base interactions energy: -42.759 where: short stacking energy: -42.759 Base-Backbone interact. energy: -0.055 local terms energy: -49.722509 where: bonds (distance) C4'-P energy: -8.091 bonds (distance) P-C4' energy: -6.940 flat angles C4'-P-C4' energy: -10.501 flat angles P-C4'-P energy: -11.433 tors. eta vs tors. theta energy: -12.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -77.493088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.493088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.493088 (E_RNA) where: Base-Base interactions energy: -36.963 where: short stacking energy: -27.109 Base-Backbone interact. energy: -0.170 local terms energy: -40.359611 where: bonds (distance) C4'-P energy: -7.768 bonds (distance) P-C4' energy: -12.596 flat angles C4'-P-C4' energy: -6.463 flat angles P-C4'-P energy: -8.178 tors. eta vs tors. theta energy: -5.356 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: 8 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -160.676911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.676911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.676911 (E_RNA) where: Base-Base interactions energy: -98.673 where: short stacking energy: -66.523 Base-Backbone interact. energy: -0.000 local terms energy: -62.003816 where: bonds (distance) C4'-P energy: -11.833 bonds (distance) P-C4' energy: -13.194 flat angles C4'-P-C4' energy: -13.204 flat angles P-C4'-P energy: -7.966 tors. eta vs tors. theta energy: -15.807 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: 6 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -152.590320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.590320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.590320 (E_RNA) where: Base-Base interactions energy: -86.548 where: short stacking energy: -57.373 Base-Backbone interact. energy: -0.014 local terms energy: -66.028088 where: bonds (distance) C4'-P energy: -13.176 bonds (distance) P-C4' energy: -12.765 flat angles C4'-P-C4' energy: -14.235 flat angles P-C4'-P energy: -9.994 tors. eta vs tors. theta energy: -15.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -139.247848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.247848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.247848 (E_RNA) where: Base-Base interactions energy: -79.870 where: short stacking energy: -53.113 Base-Backbone interact. energy: -0.007 local terms energy: -59.370429 where: bonds (distance) C4'-P energy: -7.760 bonds (distance) P-C4' energy: -15.809 flat angles C4'-P-C4' energy: -12.455 flat angles P-C4'-P energy: -9.761 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: 3 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -154.824917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.824917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.824917 (E_RNA) where: Base-Base interactions energy: -94.355 where: short stacking energy: -55.749 Base-Backbone interact. energy: -0.363 local terms energy: -60.106855 where: bonds (distance) C4'-P energy: -14.040 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -9.798 flat angles P-C4'-P energy: -10.288 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: 5, replica: 4 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -109.119991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.119991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.119991 (E_RNA) where: Base-Base interactions energy: -54.572 where: short stacking energy: -43.215 Base-Backbone interact. energy: -0.264 local terms energy: -54.283946 where: bonds (distance) C4'-P energy: -13.936 bonds (distance) P-C4' energy: -12.742 flat angles C4'-P-C4' energy: -10.209 flat angles P-C4'-P energy: -9.140 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: 7 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -94.368837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.368837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.368837 (E_RNA) where: Base-Base interactions energy: -46.037 where: short stacking energy: -31.678 Base-Backbone interact. energy: -0.837 local terms energy: -47.494289 where: bonds (distance) C4'-P energy: -12.355 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -10.693 flat angles P-C4'-P energy: -7.050 tors. eta vs tors. theta energy: -3.603 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: 9 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -88.341603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.341603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.341603 (E_RNA) where: Base-Base interactions energy: -41.440 where: short stacking energy: -40.681 Base-Backbone interact. energy: -0.832 local terms energy: -46.069619 where: bonds (distance) C4'-P energy: -11.420 bonds (distance) P-C4' energy: -10.901 flat angles C4'-P-C4' energy: -13.012 flat angles P-C4'-P energy: -6.461 tors. eta vs tors. theta energy: -4.274 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: 301 Temperature: 1.250000 Total energy: -78.194427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.194427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.194427 (E_RNA) where: Base-Base interactions energy: -34.178 where: short stacking energy: -34.178 Base-Backbone interact. energy: -0.066 local terms energy: -43.950613 where: bonds (distance) C4'-P energy: -12.382 bonds (distance) P-C4' energy: -11.532 flat angles C4'-P-C4' energy: -6.880 flat angles P-C4'-P energy: -8.374 tors. eta vs tors. theta energy: -4.783 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: 1 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -85.197281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.197281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.197281 (E_RNA) where: Base-Base interactions energy: -39.179 where: short stacking energy: -33.607 Base-Backbone interact. energy: -0.045 local terms energy: -45.973206 where: bonds (distance) C4'-P energy: -12.878 bonds (distance) P-C4' energy: -8.501 flat angles C4'-P-C4' energy: -11.881 flat angles P-C4'-P energy: -6.355 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: 10, replica: 5 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -78.406709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.406709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.406709 (E_RNA) where: Base-Base interactions energy: -28.535 where: short stacking energy: -28.535 Base-Backbone interact. energy: -0.156 local terms energy: -49.715491 where: bonds (distance) C4'-P energy: -13.714 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -7.363 flat angles P-C4'-P energy: -9.018 tors. eta vs tors. theta energy: -5.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -157.487367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.487367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.487367 (E_RNA) where: Base-Base interactions energy: -91.566 where: short stacking energy: -58.208 Base-Backbone interact. energy: -0.026 local terms energy: -65.894874 where: bonds (distance) C4'-P energy: -13.697 bonds (distance) P-C4' energy: -13.534 flat angles C4'-P-C4' energy: -14.144 flat angles P-C4'-P energy: -9.369 tors. eta vs tors. theta energy: -15.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -158.070997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.070997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.070997 (E_RNA) where: Base-Base interactions energy: -96.046 where: short stacking energy: -53.012 Base-Backbone interact. energy: -0.022 local terms energy: -62.003054 where: bonds (distance) C4'-P energy: -14.360 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -14.365 flat angles P-C4'-P energy: -8.030 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: 3, replica: 2 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -163.477956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.477956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.477956 (E_RNA) where: Base-Base interactions energy: -94.593 where: short stacking energy: -63.194 Base-Backbone interact. energy: 0.321 local terms energy: -69.205236 where: bonds (distance) C4'-P energy: -11.263 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -15.731 flat angles P-C4'-P energy: -9.006 tors. eta vs tors. theta energy: -17.919 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: 3 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -141.280882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.280882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.280882 (E_RNA) where: Base-Base interactions energy: -83.283 where: short stacking energy: -52.456 Base-Backbone interact. energy: -0.925 local terms energy: -57.072602 where: bonds (distance) C4'-P energy: -7.160 bonds (distance) P-C4' energy: -12.989 flat angles C4'-P-C4' energy: -15.794 flat angles P-C4'-P energy: -13.385 tors. eta vs tors. theta energy: -7.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -97.347999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.347999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.347999 (E_RNA) where: Base-Base interactions energy: -48.204 where: short stacking energy: -31.542 Base-Backbone interact. energy: -0.225 local terms energy: -48.919196 where: bonds (distance) C4'-P energy: -10.366 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -12.226 flat angles P-C4'-P energy: -9.410 tors. eta vs tors. theta energy: -3.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -87.645451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.645451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.645451 (E_RNA) where: Base-Base interactions energy: -37.816 where: short stacking energy: -37.382 Base-Backbone interact. energy: -0.191 local terms energy: -49.637869 where: bonds (distance) C4'-P energy: -13.776 bonds (distance) P-C4' energy: -13.278 flat angles C4'-P-C4' energy: -8.861 flat angles P-C4'-P energy: -5.490 tors. eta vs tors. theta energy: -8.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -94.779778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.779778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.779778 (E_RNA) where: Base-Base interactions energy: -36.254 where: short stacking energy: -35.226 Base-Backbone interact. energy: -0.101 local terms energy: -58.425072 where: bonds (distance) C4'-P energy: -11.759 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -11.333 flat angles P-C4'-P energy: -8.316 tors. eta vs tors. theta energy: -13.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -85.759646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.759646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.759646 (E_RNA) where: Base-Base interactions energy: -33.181 where: short stacking energy: -33.181 Base-Backbone interact. energy: -0.101 local terms energy: -52.476944 where: bonds (distance) C4'-P energy: -11.151 bonds (distance) P-C4' energy: -12.207 flat angles C4'-P-C4' energy: -13.984 flat angles P-C4'-P energy: -9.290 tors. eta vs tors. theta energy: -5.845 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: 5 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -86.321125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.321125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.321125 (E_RNA) where: Base-Base interactions energy: -38.445 where: short stacking energy: -34.364 Base-Backbone interact. energy: -0.016 local terms energy: -47.859875 where: bonds (distance) C4'-P energy: -12.724 bonds (distance) P-C4' energy: -12.958 flat angles C4'-P-C4' energy: -10.113 flat angles P-C4'-P energy: -11.109 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: 10, replica: 1 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -83.987421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.987421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.987421 (E_RNA) where: Base-Base interactions energy: -37.030 where: short stacking energy: -31.433 Base-Backbone interact. energy: -0.265 local terms energy: -46.691886 where: bonds (distance) C4'-P energy: -14.407 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -13.373 flat angles P-C4'-P energy: -5.890 tors. eta vs tors. theta energy: -3.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -159.916384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.916384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.916384 (E_RNA) where: Base-Base interactions energy: -95.680 where: short stacking energy: -62.995 Base-Backbone interact. energy: -0.310 local terms energy: -63.926360 where: bonds (distance) C4'-P energy: -13.499 bonds (distance) P-C4' energy: -11.407 flat angles C4'-P-C4' energy: -12.346 flat angles P-C4'-P energy: -7.247 tors. eta vs tors. theta energy: -19.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -156.373506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.373506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.373506 (E_RNA) where: Base-Base interactions energy: -93.530 where: short stacking energy: -62.340 Base-Backbone interact. energy: -0.006 local terms energy: -62.837434 where: bonds (distance) C4'-P energy: -11.643 bonds (distance) P-C4' energy: -10.503 flat angles C4'-P-C4' energy: -13.855 flat angles P-C4'-P energy: -10.806 tors. eta vs tors. theta energy: -16.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -149.171104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.171104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.171104 (E_RNA) where: Base-Base interactions energy: -87.648 where: short stacking energy: -50.156 Base-Backbone interact. energy: -0.135 local terms energy: -61.388328 where: bonds (distance) C4'-P energy: -12.893 bonds (distance) P-C4' energy: -14.167 flat angles C4'-P-C4' energy: -11.504 flat angles P-C4'-P energy: -11.269 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: 3 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -145.558051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.558051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.558051 (E_RNA) where: Base-Base interactions energy: -89.551 where: short stacking energy: -57.690 Base-Backbone interact. energy: -0.085 local terms energy: -55.922073 where: bonds (distance) C4'-P energy: -7.867 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -13.229 flat angles P-C4'-P energy: -8.264 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: 5, replica: 4 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -100.048050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.048050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.048050 (E_RNA) where: Base-Base interactions energy: -49.274 where: short stacking energy: -45.599 Base-Backbone interact. energy: 0.238 local terms energy: -51.011993 where: bonds (distance) C4'-P energy: -7.131 bonds (distance) P-C4' energy: -14.563 flat angles C4'-P-C4' energy: -12.274 flat angles P-C4'-P energy: -6.976 tors. eta vs tors. theta energy: -10.068 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: 10 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -100.201885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.201885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.201885 (E_RNA) where: Base-Base interactions energy: -44.174 where: short stacking energy: -44.174 Base-Backbone interact. energy: -0.002 local terms energy: -56.025637 where: bonds (distance) C4'-P energy: -12.070 bonds (distance) P-C4' energy: -11.539 flat angles C4'-P-C4' energy: -12.410 flat angles P-C4'-P energy: -9.085 tors. eta vs tors. theta energy: -10.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -95.795728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.795728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.795728 (E_RNA) where: Base-Base interactions energy: -47.284 where: short stacking energy: -44.811 Base-Backbone interact. energy: -0.024 local terms energy: -48.487846 where: bonds (distance) C4'-P energy: -10.898 bonds (distance) P-C4' energy: -13.480 flat angles C4'-P-C4' energy: -11.201 flat angles P-C4'-P energy: -7.855 tors. eta vs tors. theta energy: -5.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -90.742439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.742439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.742439 (E_RNA) where: Base-Base interactions energy: -46.203 where: short stacking energy: -42.202 Base-Backbone interact. energy: -2.096 local terms energy: -42.443034 where: bonds (distance) C4'-P energy: -7.826 bonds (distance) P-C4' energy: -10.355 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -7.392 tors. eta vs tors. theta energy: -9.150 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: 9 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -79.282148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.282148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.282148 (E_RNA) where: Base-Base interactions energy: -38.319 where: short stacking energy: -37.656 Base-Backbone interact. energy: 0.389 local terms energy: -41.352589 where: bonds (distance) C4'-P energy: -11.891 bonds (distance) P-C4' energy: -4.976 flat angles C4'-P-C4' energy: -9.708 flat angles P-C4'-P energy: -4.301 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: 10, replica: 1 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -78.840401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.840401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.840401 (E_RNA) where: Base-Base interactions energy: -32.471 where: short stacking energy: -32.159 Base-Backbone interact. energy: -0.185 local terms energy: -46.184082 where: bonds (distance) C4'-P energy: -11.110 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -14.042 flat angles P-C4'-P energy: 1.659 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: 1, replica: 2 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -161.477050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.477050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.477050 (E_RNA) where: Base-Base interactions energy: -98.056 where: short stacking energy: -65.311 Base-Backbone interact. energy: -0.010 local terms energy: -63.411196 where: bonds (distance) C4'-P energy: -12.807 bonds (distance) P-C4' energy: -11.663 flat angles C4'-P-C4' energy: -13.551 flat angles P-C4'-P energy: -10.128 tors. eta vs tors. theta energy: -15.263 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: 8 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -156.947689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.947689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.947689 (E_RNA) where: Base-Base interactions energy: -92.840 where: short stacking energy: -58.102 Base-Backbone interact. energy: -0.009 local terms energy: -64.098734 where: bonds (distance) C4'-P energy: -13.002 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -14.047 flat angles P-C4'-P energy: -9.345 tors. eta vs tors. theta energy: -16.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -147.851657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.851657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.851657 (E_RNA) where: Base-Base interactions energy: -93.707 where: short stacking energy: -50.163 Base-Backbone interact. energy: -0.051 local terms energy: -54.093814 where: bonds (distance) C4'-P energy: -14.350 bonds (distance) P-C4' energy: -13.469 flat angles C4'-P-C4' energy: -9.595 flat angles P-C4'-P energy: -7.860 tors. eta vs tors. theta energy: -8.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -149.316887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.316887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.316887 (E_RNA) where: Base-Base interactions energy: -90.945 where: short stacking energy: -60.853 Base-Backbone interact. energy: -0.001 local terms energy: -58.371035 where: bonds (distance) C4'-P energy: -10.496 bonds (distance) P-C4' energy: -14.775 flat angles C4'-P-C4' energy: -13.233 flat angles P-C4'-P energy: -5.810 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: 5, replica: 10 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -103.681935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.681935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.681935 (E_RNA) where: Base-Base interactions energy: -51.174 where: short stacking energy: -51.174 Base-Backbone interact. energy: -0.009 local terms energy: -52.498472 where: bonds (distance) C4'-P energy: -8.840 bonds (distance) P-C4' energy: -14.759 flat angles C4'-P-C4' energy: -11.005 flat angles P-C4'-P energy: -6.328 tors. eta vs tors. theta energy: -11.567 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: 304 Temperature: 1.150000 Total energy: -97.001790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.001790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.001790 (E_RNA) where: Base-Base interactions energy: -41.090 where: short stacking energy: -40.305 Base-Backbone interact. energy: -0.001 local terms energy: -55.910903 where: bonds (distance) C4'-P energy: -13.836 bonds (distance) P-C4' energy: -14.519 flat angles C4'-P-C4' energy: -8.913 flat angles P-C4'-P energy: -8.207 tors. eta vs tors. theta energy: -10.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -96.940643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.940643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.940643 (E_RNA) where: Base-Base interactions energy: -40.140 where: short stacking energy: -29.852 Base-Backbone interact. energy: -0.108 local terms energy: -56.691870 where: bonds (distance) C4'-P energy: -12.228 bonds (distance) P-C4' energy: -14.068 flat angles C4'-P-C4' energy: -13.382 flat angles P-C4'-P energy: -8.263 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: 8, replica: 7 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -87.635516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.635516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.635516 (E_RNA) where: Base-Base interactions energy: -41.421 where: short stacking energy: -41.421 Base-Backbone interact. energy: 1.630 local terms energy: -47.844636 where: bonds (distance) C4'-P energy: -10.633 bonds (distance) P-C4' energy: -13.630 flat angles C4'-P-C4' energy: -11.148 flat angles P-C4'-P energy: -3.604 tors. eta vs tors. theta energy: -8.830 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: 1 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -77.340063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.340063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.340063 (E_RNA) where: Base-Base interactions energy: -38.020 where: short stacking energy: -16.560 Base-Backbone interact. energy: -0.507 local terms energy: -38.812118 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -14.833 flat angles C4'-P-C4' energy: -8.657 flat angles P-C4'-P energy: -5.627 tors. eta vs tors. theta energy: -2.994 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: 9 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -66.074623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.074623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.074623 (E_RNA) where: Base-Base interactions energy: -22.502 where: short stacking energy: -21.769 Base-Backbone interact. energy: 0.506 local terms energy: -44.078482 where: bonds (distance) C4'-P energy: -10.519 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -13.423 flat angles P-C4'-P energy: -6.946 tors. eta vs tors. theta energy: 1.236 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: 2 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -160.843379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.843379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.843379 (E_RNA) where: Base-Base interactions energy: -95.908 where: short stacking energy: -51.812 Base-Backbone interact. energy: -0.042 local terms energy: -64.893948 where: bonds (distance) C4'-P energy: -10.604 bonds (distance) P-C4' energy: -15.486 flat angles C4'-P-C4' energy: -11.854 flat angles P-C4'-P energy: -10.201 tors. eta vs tors. theta energy: -16.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -144.011383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.011383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.011383 (E_RNA) where: Base-Base interactions energy: -82.044 where: short stacking energy: -54.695 Base-Backbone interact. energy: -0.075 local terms energy: -61.891989 where: bonds (distance) C4'-P energy: -10.053 bonds (distance) P-C4' energy: -15.774 flat angles C4'-P-C4' energy: -12.693 flat angles P-C4'-P energy: -11.960 tors. eta vs tors. theta energy: -11.413 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: 6 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -154.415557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.415557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.415557 (E_RNA) where: Base-Base interactions energy: -87.810 where: short stacking energy: -60.477 Base-Backbone interact. energy: -0.110 local terms energy: -66.495540 where: bonds (distance) C4'-P energy: -13.154 bonds (distance) P-C4' energy: -15.427 flat angles C4'-P-C4' energy: -14.008 flat angles P-C4'-P energy: -10.578 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: 3 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -157.294264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.294264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.294264 (E_RNA) where: Base-Base interactions energy: -99.710 where: short stacking energy: -57.716 Base-Backbone interact. energy: -0.005 local terms energy: -57.579241 where: bonds (distance) C4'-P energy: -12.413 bonds (distance) P-C4' energy: -13.137 flat angles C4'-P-C4' energy: -10.954 flat angles P-C4'-P energy: -6.276 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: 5, replica: 10 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -98.011047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.011047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.011047 (E_RNA) where: Base-Base interactions energy: -42.621 where: short stacking energy: -40.798 Base-Backbone interact. energy: -0.269 local terms energy: -55.121602 where: bonds (distance) C4'-P energy: -14.335 bonds (distance) P-C4' energy: -12.162 flat angles C4'-P-C4' energy: -12.270 flat angles P-C4'-P energy: -8.275 tors. eta vs tors. theta energy: -8.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -86.245527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.245527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.245527 (E_RNA) where: Base-Base interactions energy: -41.772 where: short stacking energy: -31.932 Base-Backbone interact. energy: -0.091 local terms energy: -44.383022 where: bonds (distance) C4'-P energy: -7.209 bonds (distance) P-C4' energy: -13.655 flat angles C4'-P-C4' energy: -15.344 flat angles P-C4'-P energy: -7.805 tors. eta vs tors. theta energy: -0.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -85.099855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.099855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.099855 (E_RNA) where: Base-Base interactions energy: -35.170 where: short stacking energy: -18.650 Base-Backbone interact. energy: -0.209 local terms energy: -49.721539 where: bonds (distance) C4'-P energy: -10.988 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -11.221 flat angles P-C4'-P energy: -7.862 tors. eta vs tors. theta energy: -4.596 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: 1 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -79.454264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.454264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.454264 (E_RNA) where: Base-Base interactions energy: -31.957 where: short stacking energy: -31.957 Base-Backbone interact. energy: -0.925 local terms energy: -46.572102 where: bonds (distance) C4'-P energy: -13.142 bonds (distance) P-C4' energy: -11.099 flat angles C4'-P-C4' energy: -10.237 flat angles P-C4'-P energy: -6.004 tors. eta vs tors. theta energy: -6.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -86.267999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.267999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.267999 (E_RNA) where: Base-Base interactions energy: -47.777 where: short stacking energy: -35.214 Base-Backbone interact. energy: -0.192 local terms energy: -38.299244 where: bonds (distance) C4'-P energy: -9.060 bonds (distance) P-C4' energy: -14.485 flat angles C4'-P-C4' energy: -5.984 flat angles P-C4'-P energy: -7.635 tors. eta vs tors. theta energy: -1.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -71.531211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.531211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.531211 (E_RNA) where: Base-Base interactions energy: -29.485 where: short stacking energy: -29.485 Base-Backbone interact. energy: -0.068 local terms energy: -41.978328 where: bonds (distance) C4'-P energy: -12.832 bonds (distance) P-C4' energy: -14.905 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -9.352 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: 1, replica: 2 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -152.381001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.381001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.381001 (E_RNA) where: Base-Base interactions energy: -91.366 where: short stacking energy: -55.936 Base-Backbone interact. energy: -0.441 local terms energy: -60.574188 where: bonds (distance) C4'-P energy: -10.663 bonds (distance) P-C4' energy: -13.613 flat angles C4'-P-C4' energy: -11.400 flat angles P-C4'-P energy: -12.008 tors. eta vs tors. theta energy: -12.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -140.880525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.880525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.880525 (E_RNA) where: Base-Base interactions energy: -84.218 where: short stacking energy: -54.336 Base-Backbone interact. energy: -0.110 local terms energy: -56.552074 where: bonds (distance) C4'-P energy: -12.302 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -9.212 flat angles P-C4'-P energy: -7.869 tors. eta vs tors. theta energy: -12.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -154.609353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.609353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.609353 (E_RNA) where: Base-Base interactions energy: -90.586 where: short stacking energy: -62.147 Base-Backbone interact. energy: -0.119 local terms energy: -63.904389 where: bonds (distance) C4'-P energy: -11.683 bonds (distance) P-C4' energy: -16.235 flat angles C4'-P-C4' energy: -11.687 flat angles P-C4'-P energy: -9.780 tors. eta vs tors. theta energy: -14.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -139.155428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.155428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.155428 (E_RNA) where: Base-Base interactions energy: -82.902 where: short stacking energy: -51.564 Base-Backbone interact. energy: -0.597 local terms energy: -55.657231 where: bonds (distance) C4'-P energy: -14.049 bonds (distance) P-C4' energy: -10.362 flat angles C4'-P-C4' energy: -12.940 flat angles P-C4'-P energy: -6.103 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: 5, replica: 5 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -99.264932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.264932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.264932 (E_RNA) where: Base-Base interactions energy: -43.697 where: short stacking energy: -42.817 Base-Backbone interact. energy: -0.003 local terms energy: -55.565246 where: bonds (distance) C4'-P energy: -7.839 bonds (distance) P-C4' energy: -14.710 flat angles C4'-P-C4' energy: -11.552 flat angles P-C4'-P energy: -9.318 tors. eta vs tors. theta energy: -12.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -114.563242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.563242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.563242 (E_RNA) where: Base-Base interactions energy: -61.236 where: short stacking energy: -36.980 Base-Backbone interact. energy: -0.925 local terms energy: -52.401447 where: bonds (distance) C4'-P energy: -10.684 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -9.587 flat angles P-C4'-P energy: -9.399 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: 7, replica: 1 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -83.527604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.527604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.527604 (E_RNA) where: Base-Base interactions energy: -38.177 where: short stacking energy: -38.177 Base-Backbone interact. energy: 1.164 local terms energy: -46.514514 where: bonds (distance) C4'-P energy: -10.836 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -8.133 flat angles P-C4'-P energy: -6.000 tors. eta vs tors. theta energy: -6.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -75.426452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.426452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.426452 (E_RNA) where: Base-Base interactions energy: -24.141 where: short stacking energy: -21.658 Base-Backbone interact. energy: -0.003 local terms energy: -51.283014 where: bonds (distance) C4'-P energy: -12.264 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -10.664 flat angles P-C4'-P energy: -6.239 tors. eta vs tors. theta energy: -6.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -99.037859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.037859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.037859 (E_RNA) where: Base-Base interactions energy: -49.827 where: short stacking energy: -39.823 Base-Backbone interact. energy: -0.286 local terms energy: -48.924600 where: bonds (distance) C4'-P energy: -12.630 bonds (distance) P-C4' energy: -12.680 flat angles C4'-P-C4' energy: -10.534 flat angles P-C4'-P energy: -6.516 tors. eta vs tors. theta energy: -6.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -76.369936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.369936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.369936 (E_RNA) where: Base-Base interactions energy: -39.955 where: short stacking energy: -29.027 Base-Backbone interact. energy: 0.080 local terms energy: -36.494436 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -12.086 flat angles C4'-P-C4' energy: -10.235 flat angles P-C4'-P energy: -5.584 tors. eta vs tors. theta energy: -2.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -163.710898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.710898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.710898 (E_RNA) where: Base-Base interactions energy: -95.895 where: short stacking energy: -62.858 Base-Backbone interact. energy: -0.002 local terms energy: -67.813608 where: bonds (distance) C4'-P energy: -11.387 bonds (distance) P-C4' energy: -14.064 flat angles C4'-P-C4' energy: -13.381 flat angles P-C4'-P energy: -12.736 tors. eta vs tors. theta energy: -16.246 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: 2, replica: 8 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -143.988248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.988248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.988248 (E_RNA) where: Base-Base interactions energy: -83.913 where: short stacking energy: -50.392 Base-Backbone interact. energy: -0.026 local terms energy: -60.048838 where: bonds (distance) C4'-P energy: -12.638 bonds (distance) P-C4' energy: -13.249 flat angles C4'-P-C4' energy: -13.920 flat angles P-C4'-P energy: -8.736 tors. eta vs tors. theta energy: -11.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -140.052436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.052436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.052436 (E_RNA) where: Base-Base interactions energy: -82.336 where: short stacking energy: -46.362 Base-Backbone interact. energy: -0.016 local terms energy: -57.700305 where: bonds (distance) C4'-P energy: -10.832 bonds (distance) P-C4' energy: -12.115 flat angles C4'-P-C4' energy: -14.258 flat angles P-C4'-P energy: -9.859 tors. eta vs tors. theta energy: -10.635 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: 6 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -131.715151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.715151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.715151 (E_RNA) where: Base-Base interactions energy: -76.362 where: short stacking energy: -50.139 Base-Backbone interact. energy: 0.084 local terms energy: -55.437568 where: bonds (distance) C4'-P energy: -11.669 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -12.028 flat angles P-C4'-P energy: -9.658 tors. eta vs tors. theta energy: -8.125 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: 5 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -100.582211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.582211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.582211 (E_RNA) where: Base-Base interactions energy: -46.826 where: short stacking energy: -46.211 Base-Backbone interact. energy: -0.176 local terms energy: -53.579663 where: bonds (distance) C4'-P energy: -12.330 bonds (distance) P-C4' energy: -13.338 flat angles C4'-P-C4' energy: -10.129 flat angles P-C4'-P energy: -9.824 tors. eta vs tors. theta energy: -7.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -88.377325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.377325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.377325 (E_RNA) where: Base-Base interactions energy: -40.275 where: short stacking energy: -40.275 Base-Backbone interact. energy: -0.004 local terms energy: -48.098324 where: bonds (distance) C4'-P energy: -11.831 bonds (distance) P-C4' energy: -11.765 flat angles C4'-P-C4' energy: -9.343 flat angles P-C4'-P energy: -9.261 tors. eta vs tors. theta energy: -5.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -100.392383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.392383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.392383 (E_RNA) where: Base-Base interactions energy: -48.221 where: short stacking energy: -38.377 Base-Backbone interact. energy: 0.402 local terms energy: -52.573400 where: bonds (distance) C4'-P energy: -15.295 bonds (distance) P-C4' energy: -9.421 flat angles C4'-P-C4' energy: -9.423 flat angles P-C4'-P energy: -11.148 tors. eta vs tors. theta energy: -7.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -84.912456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.912456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.912456 (E_RNA) where: Base-Base interactions energy: -38.921 where: short stacking energy: -35.315 Base-Backbone interact. energy: 1.742 local terms energy: -47.733096 where: bonds (distance) C4'-P energy: -12.919 bonds (distance) P-C4' energy: -13.393 flat angles C4'-P-C4' energy: -10.495 flat angles P-C4'-P energy: -7.922 tors. eta vs tors. theta energy: -3.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -85.061260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.061260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.061260 (E_RNA) where: Base-Base interactions energy: -39.869 where: short stacking energy: -39.869 Base-Backbone interact. energy: -0.106 local terms energy: -45.086317 where: bonds (distance) C4'-P energy: -9.370 bonds (distance) P-C4' energy: -11.707 flat angles C4'-P-C4' energy: -11.113 flat angles P-C4'-P energy: -5.004 tors. eta vs tors. theta energy: -7.892 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: 7 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -76.850284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.850284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.850284 (E_RNA) where: Base-Base interactions energy: -34.576 where: short stacking energy: -33.320 Base-Backbone interact. energy: -0.009 local terms energy: -42.264535 where: bonds (distance) C4'-P energy: -6.543 bonds (distance) P-C4' energy: -12.800 flat angles C4'-P-C4' energy: -11.618 flat angles P-C4'-P energy: -6.978 tors. eta vs tors. theta energy: -4.326 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: 8 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -174.666150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.666150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.666150 (E_RNA) where: Base-Base interactions energy: -104.543 where: short stacking energy: -64.650 Base-Backbone interact. energy: -0.000 local terms energy: -70.122801 where: bonds (distance) C4'-P energy: -15.117 bonds (distance) P-C4' energy: -11.284 flat angles C4'-P-C4' energy: -12.349 flat angles P-C4'-P energy: -12.062 tors. eta vs tors. theta energy: -19.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -167.721559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.721559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.721559 (E_RNA) where: Base-Base interactions energy: -103.153 where: short stacking energy: -68.052 Base-Backbone interact. energy: -0.000 local terms energy: -64.568133 where: bonds (distance) C4'-P energy: -14.076 bonds (distance) P-C4' energy: -8.610 flat angles C4'-P-C4' energy: -14.659 flat angles P-C4'-P energy: -10.040 tors. eta vs tors. theta energy: -17.183 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: 3 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -144.657584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.657584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.657584 (E_RNA) where: Base-Base interactions energy: -88.769 where: short stacking energy: -44.855 Base-Backbone interact. energy: -0.018 local terms energy: -55.870324 where: bonds (distance) C4'-P energy: -12.939 bonds (distance) P-C4' energy: -10.544 flat angles C4'-P-C4' energy: -14.162 flat angles P-C4'-P energy: -10.898 tors. eta vs tors. theta energy: -7.327 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: 6 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -135.411377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.411377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.411377 (E_RNA) where: Base-Base interactions energy: -76.087 where: short stacking energy: -48.760 Base-Backbone interact. energy: -0.016 local terms energy: -59.308018 where: bonds (distance) C4'-P energy: -10.828 bonds (distance) P-C4' energy: -11.855 flat angles C4'-P-C4' energy: -13.235 flat angles P-C4'-P energy: -12.072 tors. eta vs tors. theta energy: -11.318 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: 1 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -103.968109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.968109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.968109 (E_RNA) where: Base-Base interactions energy: -47.924 where: short stacking energy: -47.924 Base-Backbone interact. energy: -0.063 local terms energy: -55.980943 where: bonds (distance) C4'-P energy: -8.695 bonds (distance) P-C4' energy: -13.853 flat angles C4'-P-C4' energy: -13.409 flat angles P-C4'-P energy: -10.071 tors. eta vs tors. theta energy: -9.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -94.289944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.289944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.289944 (E_RNA) where: Base-Base interactions energy: -42.333 where: short stacking energy: -37.230 Base-Backbone interact. energy: -0.119 local terms energy: -51.838269 where: bonds (distance) C4'-P energy: -10.798 bonds (distance) P-C4' energy: -11.312 flat angles C4'-P-C4' energy: -12.623 flat angles P-C4'-P energy: -8.453 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: 7, replica: 9 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -98.582406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.582406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.582406 (E_RNA) where: Base-Base interactions energy: -46.600 where: short stacking energy: -43.011 Base-Backbone interact. energy: -0.353 local terms energy: -51.629787 where: bonds (distance) C4'-P energy: -12.260 bonds (distance) P-C4' energy: -12.419 flat angles C4'-P-C4' energy: -12.059 flat angles P-C4'-P energy: -9.706 tors. eta vs tors. theta energy: -5.186 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: 10 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -86.763726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.763726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.763726 (E_RNA) where: Base-Base interactions energy: -39.136 where: short stacking energy: -37.403 Base-Backbone interact. energy: -0.093 local terms energy: -47.535524 where: bonds (distance) C4'-P energy: -10.360 bonds (distance) P-C4' energy: -11.970 flat angles C4'-P-C4' energy: -13.696 flat angles P-C4'-P energy: -4.715 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: 9, replica: 7 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -88.268649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.268649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.268649 (E_RNA) where: Base-Base interactions energy: -44.159 where: short stacking energy: -42.779 Base-Backbone interact. energy: -1.480 local terms energy: -42.630346 where: bonds (distance) C4'-P energy: -9.126 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -7.779 flat angles P-C4'-P energy: -5.673 tors. eta vs tors. theta energy: -6.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -81.643478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.643478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.643478 (E_RNA) where: Base-Base interactions energy: -32.745 where: short stacking energy: -32.714 Base-Backbone interact. energy: -0.073 local terms energy: -48.825795 where: bonds (distance) C4'-P energy: -14.735 bonds (distance) P-C4' energy: -16.485 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -11.312 tors. eta vs tors. theta energy: -0.944 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: 8 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -175.500641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.500641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.500641 (E_RNA) where: Base-Base interactions energy: -105.555 where: short stacking energy: -65.368 Base-Backbone interact. energy: 1.392 local terms energy: -71.337640 where: bonds (distance) C4'-P energy: -13.113 bonds (distance) P-C4' energy: -15.977 flat angles C4'-P-C4' energy: -12.904 flat angles P-C4'-P energy: -13.302 tors. eta vs tors. theta energy: -16.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -156.061732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.061732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.061732 (E_RNA) where: Base-Base interactions energy: -96.315 where: short stacking energy: -64.140 Base-Backbone interact. energy: -0.001 local terms energy: -59.745510 where: bonds (distance) C4'-P energy: -11.243 bonds (distance) P-C4' energy: -12.849 flat angles C4'-P-C4' energy: -11.989 flat angles P-C4'-P energy: -10.835 tors. eta vs tors. theta energy: -12.829 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: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -111.908783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.908783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.908783 (E_RNA) where: Base-Base interactions energy: -62.483 where: short stacking energy: -34.399 Base-Backbone interact. energy: -0.279 local terms energy: -49.147350 where: bonds (distance) C4'-P energy: -12.070 bonds (distance) P-C4' energy: -12.774 flat angles C4'-P-C4' energy: -12.263 flat angles P-C4'-P energy: -10.823 tors. eta vs tors. theta energy: -1.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -106.899818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.899818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.899818 (E_RNA) where: Base-Base interactions energy: -54.744 where: short stacking energy: -41.621 Base-Backbone interact. energy: -1.173 local terms energy: -50.982368 where: bonds (distance) C4'-P energy: -11.217 bonds (distance) P-C4' energy: -12.056 flat angles C4'-P-C4' energy: -12.638 flat angles P-C4'-P energy: -8.090 tors. eta vs tors. theta energy: -6.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -103.007902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.007902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.007902 (E_RNA) where: Base-Base interactions energy: -54.580 where: short stacking energy: -52.613 Base-Backbone interact. energy: -0.098 local terms energy: -48.330429 where: bonds (distance) C4'-P energy: -8.108 bonds (distance) P-C4' energy: -9.448 flat angles C4'-P-C4' energy: -10.371 flat angles P-C4'-P energy: -7.826 tors. eta vs tors. theta energy: -12.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -99.108548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.108548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.108548 (E_RNA) where: Base-Base interactions energy: -48.885 where: short stacking energy: -41.927 Base-Backbone interact. energy: -0.122 local terms energy: -50.101377 where: bonds (distance) C4'-P energy: -11.238 bonds (distance) P-C4' energy: -13.954 flat angles C4'-P-C4' energy: -11.429 flat angles P-C4'-P energy: -7.370 tors. eta vs tors. theta energy: -6.110 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: 5 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -92.534324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.534324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.534324 (E_RNA) where: Base-Base interactions energy: -43.486 where: short stacking energy: -34.633 Base-Backbone interact. energy: -0.411 local terms energy: -48.638016 where: bonds (distance) C4'-P energy: -11.416 bonds (distance) P-C4' energy: -13.623 flat angles C4'-P-C4' energy: -11.745 flat angles P-C4'-P energy: -7.976 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: 10 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -90.402042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.402042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.402042 (E_RNA) where: Base-Base interactions energy: -43.654 where: short stacking energy: -37.740 Base-Backbone interact. energy: -0.002 local terms energy: -46.746730 where: bonds (distance) C4'-P energy: -8.680 bonds (distance) P-C4' energy: -6.781 flat angles C4'-P-C4' energy: -12.334 flat angles P-C4'-P energy: -9.832 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: 9, replica: 7 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -77.284026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.284026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.284026 (E_RNA) where: Base-Base interactions energy: -33.127 where: short stacking energy: -32.037 Base-Backbone interact. energy: -0.106 local terms energy: -44.051440 where: bonds (distance) C4'-P energy: -12.422 bonds (distance) P-C4' energy: -11.744 flat angles C4'-P-C4' energy: -11.358 flat angles P-C4'-P energy: -3.573 tors. eta vs tors. theta energy: -4.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -76.978898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.978898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.978898 (E_RNA) where: Base-Base interactions energy: -32.085 where: short stacking energy: -26.847 Base-Backbone interact. energy: -0.407 local terms energy: -44.487087 where: bonds (distance) C4'-P energy: -11.107 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -11.523 flat angles P-C4'-P energy: -3.198 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: 1, replica: 8 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -168.348114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.348114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.348114 (E_RNA) where: Base-Base interactions energy: -94.989 where: short stacking energy: -65.431 Base-Backbone interact. energy: -0.451 local terms energy: -72.907808 where: bonds (distance) C4'-P energy: -15.448 bonds (distance) P-C4' energy: -13.152 flat angles C4'-P-C4' energy: -15.487 flat angles P-C4'-P energy: -10.209 tors. eta vs tors. theta energy: -18.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -141.966166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.966166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.966166 (E_RNA) where: Base-Base interactions energy: -84.397 where: short stacking energy: -52.508 Base-Backbone interact. energy: -2.030 local terms energy: -55.538344 where: bonds (distance) C4'-P energy: -11.805 bonds (distance) P-C4' energy: -15.572 flat angles C4'-P-C4' energy: -9.697 flat angles P-C4'-P energy: -9.604 tors. eta vs tors. theta energy: -8.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -130.315911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.315911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.315911 (E_RNA) where: Base-Base interactions energy: -74.516 where: short stacking energy: -48.437 Base-Backbone interact. energy: 0.837 local terms energy: -56.637167 where: bonds (distance) C4'-P energy: -11.054 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -13.358 flat angles P-C4'-P energy: -8.965 tors. eta vs tors. theta energy: -8.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -120.772107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.772107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.772107 (E_RNA) where: Base-Base interactions energy: -67.542 where: short stacking energy: -48.835 Base-Backbone interact. energy: -0.015 local terms energy: -53.214791 where: bonds (distance) C4'-P energy: -13.854 bonds (distance) P-C4' energy: -11.157 flat angles C4'-P-C4' energy: -11.052 flat angles P-C4'-P energy: -9.617 tors. eta vs tors. theta energy: -7.535 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: 9 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -88.920256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.920256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.920256 (E_RNA) where: Base-Base interactions energy: -40.875 where: short stacking energy: -40.875 Base-Backbone interact. energy: -0.140 local terms energy: -47.905272 where: bonds (distance) C4'-P energy: -11.655 bonds (distance) P-C4' energy: -12.239 flat angles C4'-P-C4' energy: -14.354 flat angles P-C4'-P energy: -6.997 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: 6, replica: 1 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -117.392641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.392641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.392641 (E_RNA) where: Base-Base interactions energy: -61.007 where: short stacking energy: -44.457 Base-Backbone interact. energy: -0.004 local terms energy: -56.381712 where: bonds (distance) C4'-P energy: -9.395 bonds (distance) P-C4' energy: -12.447 flat angles C4'-P-C4' energy: -9.937 flat angles P-C4'-P energy: -8.281 tors. eta vs tors. theta energy: -16.321 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: 7, replica: 10 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -95.731344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.731344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.731344 (E_RNA) where: Base-Base interactions energy: -50.265 where: short stacking energy: -38.689 Base-Backbone interact. energy: -0.327 local terms energy: -45.138827 where: bonds (distance) C4'-P energy: -13.275 bonds (distance) P-C4' energy: -11.348 flat angles C4'-P-C4' energy: -13.159 flat angles P-C4'-P energy: -5.021 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: 5 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -75.155726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.155726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.155726 (E_RNA) where: Base-Base interactions energy: -30.564 where: short stacking energy: -31.438 Base-Backbone interact. energy: -0.261 local terms energy: -44.330061 where: bonds (distance) C4'-P energy: -11.739 bonds (distance) P-C4' energy: -11.410 flat angles C4'-P-C4' energy: -14.194 flat angles P-C4'-P energy: -5.568 tors. eta vs tors. theta energy: -1.419 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: 4 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -71.567165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.567165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.567165 (E_RNA) where: Base-Base interactions energy: -31.012 where: short stacking energy: -25.698 Base-Backbone interact. energy: -0.494 local terms energy: -40.061928 where: bonds (distance) C4'-P energy: -12.405 bonds (distance) P-C4' energy: -8.766 flat angles C4'-P-C4' energy: -9.510 flat angles P-C4'-P energy: -4.578 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: 7 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -73.146382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.146382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.146382 (E_RNA) where: Base-Base interactions energy: -28.444 where: short stacking energy: -21.282 Base-Backbone interact. energy: -0.345 local terms energy: -44.356809 where: bonds (distance) C4'-P energy: -12.538 bonds (distance) P-C4' energy: -12.736 flat angles C4'-P-C4' energy: -10.745 flat angles P-C4'-P energy: -5.492 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: 8 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -154.351155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.351155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.351155 (E_RNA) where: Base-Base interactions energy: -95.566 where: short stacking energy: -63.074 Base-Backbone interact. energy: -0.002 local terms energy: -58.782907 where: bonds (distance) C4'-P energy: -12.740 bonds (distance) P-C4' energy: -12.150 flat angles C4'-P-C4' energy: -13.548 flat angles P-C4'-P energy: -6.246 tors. eta vs tors. theta energy: -14.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -131.410862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.410862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.410862 (E_RNA) where: Base-Base interactions energy: -75.566 where: short stacking energy: -47.466 Base-Backbone interact. energy: -0.175 local terms energy: -55.670339 where: bonds (distance) C4'-P energy: -13.681 bonds (distance) P-C4' energy: -14.011 flat angles C4'-P-C4' energy: -13.227 flat angles P-C4'-P energy: -7.921 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: 3, replica: 2 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -148.845663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.845663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.845663 (E_RNA) where: Base-Base interactions energy: -91.014 where: short stacking energy: -58.167 Base-Backbone interact. energy: -0.470 local terms energy: -57.362204 where: bonds (distance) C4'-P energy: -14.608 bonds (distance) P-C4' energy: -9.579 flat angles C4'-P-C4' energy: -10.848 flat angles P-C4'-P energy: -7.572 tors. eta vs tors. theta energy: -14.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -128.016237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.016237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.016237 (E_RNA) where: Base-Base interactions energy: -67.285 where: short stacking energy: -51.332 Base-Backbone interact. energy: -0.092 local terms energy: -60.639228 where: bonds (distance) C4'-P energy: -12.285 bonds (distance) P-C4' energy: -14.225 flat angles C4'-P-C4' energy: -14.021 flat angles P-C4'-P energy: -11.027 tors. eta vs tors. theta energy: -9.081 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: 9 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -97.039014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.039014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.039014 (E_RNA) where: Base-Base interactions energy: -48.566 where: short stacking energy: -39.614 Base-Backbone interact. energy: -0.002 local terms energy: -48.470395 where: bonds (distance) C4'-P energy: -10.316 bonds (distance) P-C4' energy: -14.911 flat angles C4'-P-C4' energy: -10.788 flat angles P-C4'-P energy: -6.436 tors. eta vs tors. theta energy: -6.019 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: 10 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -93.724313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.724313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.724313 (E_RNA) where: Base-Base interactions energy: -45.591 where: short stacking energy: -44.768 Base-Backbone interact. energy: -0.109 local terms energy: -48.024901 where: bonds (distance) C4'-P energy: -12.302 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -9.931 flat angles P-C4'-P energy: -5.403 tors. eta vs tors. theta energy: -7.459 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: 1 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -81.339857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.339857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.339857 (E_RNA) where: Base-Base interactions energy: -35.106 where: short stacking energy: -34.809 Base-Backbone interact. energy: -0.103 local terms energy: -46.130967 where: bonds (distance) C4'-P energy: -11.436 bonds (distance) P-C4' energy: -10.753 flat angles C4'-P-C4' energy: -7.228 flat angles P-C4'-P energy: -11.455 tors. eta vs tors. theta energy: -5.259 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: 4 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -79.821818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.821818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.821818 (E_RNA) where: Base-Base interactions energy: -42.595 where: short stacking energy: -29.287 Base-Backbone interact. energy: -0.143 local terms energy: -37.083774 where: bonds (distance) C4'-P energy: -10.181 bonds (distance) P-C4' energy: -13.051 flat angles C4'-P-C4' energy: -8.626 flat angles P-C4'-P energy: -6.664 tors. eta vs tors. theta energy: 1.438 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: 5 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -74.308598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.308598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.308598 (E_RNA) where: Base-Base interactions energy: -31.359 where: short stacking energy: -23.781 Base-Backbone interact. energy: -0.079 local terms energy: -42.870919 where: bonds (distance) C4'-P energy: -10.434 bonds (distance) P-C4' energy: -12.281 flat angles C4'-P-C4' energy: -9.642 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -6.763 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: 10, replica: 7 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -77.144973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.144973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.144973 (E_RNA) where: Base-Base interactions energy: -30.201 where: short stacking energy: -30.201 Base-Backbone interact. energy: -0.065 local terms energy: -46.878422 where: bonds (distance) C4'-P energy: -11.767 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -9.362 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: 1, replica: 8 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -162.967901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.967901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.967901 (E_RNA) where: Base-Base interactions energy: -101.057 where: short stacking energy: -64.145 Base-Backbone interact. energy: -0.002 local terms energy: -61.908993 where: bonds (distance) C4'-P energy: -11.598 bonds (distance) P-C4' energy: -14.318 flat angles C4'-P-C4' energy: -14.395 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -17.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -139.193625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.193625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.193625 (E_RNA) where: Base-Base interactions energy: -86.694 where: short stacking energy: -59.666 Base-Backbone interact. energy: -0.263 local terms energy: -52.237157 where: bonds (distance) C4'-P energy: -10.915 bonds (distance) P-C4' energy: -9.076 flat angles C4'-P-C4' energy: -10.971 flat angles P-C4'-P energy: -9.438 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: 2 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -152.407279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.407279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.407279 (E_RNA) where: Base-Base interactions energy: -91.626 where: short stacking energy: -47.485 Base-Backbone interact. energy: -0.123 local terms energy: -60.658298 where: bonds (distance) C4'-P energy: -11.796 bonds (distance) P-C4' energy: -16.038 flat angles C4'-P-C4' energy: -12.063 flat angles P-C4'-P energy: -6.540 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: 4, replica: 3 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -114.348026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.348026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.348026 (E_RNA) where: Base-Base interactions energy: -59.075 where: short stacking energy: -50.204 Base-Backbone interact. energy: -0.054 local terms energy: -55.219829 where: bonds (distance) C4'-P energy: -10.260 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -11.889 flat angles P-C4'-P energy: -10.607 tors. eta vs tors. theta energy: -7.208 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: 5, replica: 10 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -117.867522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.867522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.867522 (E_RNA) where: Base-Base interactions energy: -59.370 where: short stacking energy: -45.676 Base-Backbone interact. energy: -0.162 local terms energy: -58.336277 where: bonds (distance) C4'-P energy: -9.888 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -14.356 flat angles P-C4'-P energy: -6.131 tors. eta vs tors. theta energy: -13.488 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: 6, replica: 9 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -93.147830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.147830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.147830 (E_RNA) where: Base-Base interactions energy: -41.427 where: short stacking energy: -41.427 Base-Backbone interact. energy: -0.005 local terms energy: -51.715704 where: bonds (distance) C4'-P energy: -11.154 bonds (distance) P-C4' energy: -12.952 flat angles C4'-P-C4' energy: -10.424 flat angles P-C4'-P energy: -10.028 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: 7, replica: 4 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -80.877849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.877849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.877849 (E_RNA) where: Base-Base interactions energy: -37.247 where: short stacking energy: -38.147 Base-Backbone interact. energy: -0.114 local terms energy: -43.517136 where: bonds (distance) C4'-P energy: -9.271 bonds (distance) P-C4' energy: -13.014 flat angles C4'-P-C4' energy: -10.838 flat angles P-C4'-P energy: -5.537 tors. eta vs tors. theta energy: -4.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -74.893904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.893904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.893904 (E_RNA) where: Base-Base interactions energy: -30.860 where: short stacking energy: -30.860 Base-Backbone interact. energy: -0.075 local terms energy: -43.958568 where: bonds (distance) C4'-P energy: -13.146 bonds (distance) P-C4' energy: -13.240 flat angles C4'-P-C4' energy: -12.998 flat angles P-C4'-P energy: -3.913 tors. eta vs tors. theta energy: -0.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -75.389169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.389169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.389169 (E_RNA) where: Base-Base interactions energy: -29.031 where: short stacking energy: -24.405 Base-Backbone interact. energy: -0.099 local terms energy: -46.259318 where: bonds (distance) C4'-P energy: -11.404 bonds (distance) P-C4' energy: -12.508 flat angles C4'-P-C4' energy: -11.028 flat angles P-C4'-P energy: -4.732 tors. eta vs tors. theta energy: -6.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -103.211937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.211937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.211937 (E_RNA) where: Base-Base interactions energy: -56.115 where: short stacking energy: -30.823 Base-Backbone interact. energy: -0.037 local terms energy: -47.059921 where: bonds (distance) C4'-P energy: -10.596 bonds (distance) P-C4' energy: -13.912 flat angles C4'-P-C4' energy: -10.328 flat angles P-C4'-P energy: -8.427 tors. eta vs tors. theta energy: -3.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -178.224413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.224413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.224413 (E_RNA) where: Base-Base interactions energy: -111.048 where: short stacking energy: -67.075 Base-Backbone interact. energy: -0.001 local terms energy: -67.176251 where: bonds (distance) C4'-P energy: -14.073 bonds (distance) P-C4' energy: -10.848 flat angles C4'-P-C4' energy: -12.296 flat angles P-C4'-P energy: -11.117 tors. eta vs tors. theta energy: -18.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -156.532935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.532935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.532935 (E_RNA) where: Base-Base interactions energy: -95.549 where: short stacking energy: -70.561 Base-Backbone interact. energy: -0.022 local terms energy: -60.962062 where: bonds (distance) C4'-P energy: -13.117 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -11.323 flat angles P-C4'-P energy: -7.565 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: 6 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -110.410068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.410068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.410068 (E_RNA) where: Base-Base interactions energy: -49.417 where: short stacking energy: -36.228 Base-Backbone interact. energy: -0.579 local terms energy: -60.413789 where: bonds (distance) C4'-P energy: -12.062 bonds (distance) P-C4' energy: -15.115 flat angles C4'-P-C4' energy: -14.704 flat angles P-C4'-P energy: -8.074 tors. eta vs tors. theta energy: -10.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -121.996277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.996277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.996277 (E_RNA) where: Base-Base interactions energy: -63.372 where: short stacking energy: -51.023 Base-Backbone interact. energy: -0.001 local terms energy: -58.622784 where: bonds (distance) C4'-P energy: -14.350 bonds (distance) P-C4' energy: -14.255 flat angles C4'-P-C4' energy: -9.760 flat angles P-C4'-P energy: -10.896 tors. eta vs tors. theta energy: -9.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -121.696798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.696798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.696798 (E_RNA) where: Base-Base interactions energy: -67.175 where: short stacking energy: -39.974 Base-Backbone interact. energy: -0.033 local terms energy: -54.488666 where: bonds (distance) C4'-P energy: -11.407 bonds (distance) P-C4' energy: -14.879 flat angles C4'-P-C4' energy: -11.801 flat angles P-C4'-P energy: -10.896 tors. eta vs tors. theta energy: -5.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -136.612362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.612362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.612362 (E_RNA) where: Base-Base interactions energy: -86.461 where: short stacking energy: -47.914 Base-Backbone interact. energy: -0.095 local terms energy: -50.056321 where: bonds (distance) C4'-P energy: -5.156 bonds (distance) P-C4' energy: -13.422 flat angles C4'-P-C4' energy: -11.586 flat angles P-C4'-P energy: -8.351 tors. eta vs tors. theta energy: -11.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -78.865131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.865131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.865131 (E_RNA) where: Base-Base interactions energy: -26.680 where: short stacking energy: -26.680 Base-Backbone interact. energy: -0.218 local terms energy: -51.966977 where: bonds (distance) C4'-P energy: -12.975 bonds (distance) P-C4' energy: -11.899 flat angles C4'-P-C4' energy: -14.302 flat angles P-C4'-P energy: -11.905 tors. eta vs tors. theta energy: -0.886 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: 7 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -71.651673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.651673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.651673 (E_RNA) where: Base-Base interactions energy: -26.713 where: short stacking energy: -24.870 Base-Backbone interact. energy: -0.261 local terms energy: -44.677972 where: bonds (distance) C4'-P energy: -13.100 bonds (distance) P-C4' energy: -10.786 flat angles C4'-P-C4' energy: -13.669 flat angles P-C4'-P energy: -7.336 tors. eta vs tors. theta energy: 0.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -89.604800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.604800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.604800 (E_RNA) where: Base-Base interactions energy: -37.307 where: short stacking energy: -29.844 Base-Backbone interact. energy: -0.468 local terms energy: -51.829218 where: bonds (distance) C4'-P energy: -12.319 bonds (distance) P-C4' energy: -14.016 flat angles C4'-P-C4' energy: -12.478 flat angles P-C4'-P energy: -6.893 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: 10, replica: 5 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -72.093198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.093198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.093198 (E_RNA) where: Base-Base interactions energy: -32.109 where: short stacking energy: -25.754 Base-Backbone interact. energy: -0.090 local terms energy: -39.894353 where: bonds (distance) C4'-P energy: -11.386 bonds (distance) P-C4' energy: -9.972 flat angles C4'-P-C4' energy: -12.290 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -2.470 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: 8 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -173.904149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.904149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.904149 (E_RNA) where: Base-Base interactions energy: -110.456 where: short stacking energy: -73.678 Base-Backbone interact. energy: -0.034 local terms energy: -63.413674 where: bonds (distance) C4'-P energy: -10.808 bonds (distance) P-C4' energy: -13.466 flat angles C4'-P-C4' energy: -13.952 flat angles P-C4'-P energy: -9.583 tors. eta vs tors. theta energy: -15.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -161.618373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.618373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.618373 (E_RNA) where: Base-Base interactions energy: -97.849 where: short stacking energy: -63.247 Base-Backbone interact. energy: 0.646 local terms energy: -64.415263 where: bonds (distance) C4'-P energy: -9.317 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -14.555 flat angles P-C4'-P energy: -9.681 tors. eta vs tors. theta energy: -15.815 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: 10 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -132.560759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.560759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.560759 (E_RNA) where: Base-Base interactions energy: -78.870 where: short stacking energy: -52.597 Base-Backbone interact. energy: 0.591 local terms energy: -54.281860 where: bonds (distance) C4'-P energy: -10.882 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -13.118 flat angles P-C4'-P energy: -7.915 tors. eta vs tors. theta energy: -8.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -121.619794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.619794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.619794 (E_RNA) where: Base-Base interactions energy: -67.433 where: short stacking energy: -51.815 Base-Backbone interact. energy: 0.023 local terms energy: -54.210416 where: bonds (distance) C4'-P energy: -9.780 bonds (distance) P-C4' energy: -10.574 flat angles C4'-P-C4' energy: -12.509 flat angles P-C4'-P energy: -9.956 tors. eta vs tors. theta energy: -11.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -129.463381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.463381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.463381 (E_RNA) where: Base-Base interactions energy: -66.458 where: short stacking energy: -42.165 Base-Backbone interact. energy: -0.288 local terms energy: -62.717870 where: bonds (distance) C4'-P energy: -12.127 bonds (distance) P-C4' energy: -13.841 flat angles C4'-P-C4' energy: -14.623 flat angles P-C4'-P energy: -10.583 tors. eta vs tors. theta energy: -11.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -133.438408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.438408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.438408 (E_RNA) where: Base-Base interactions energy: -76.641 where: short stacking energy: -47.118 Base-Backbone interact. energy: -0.566 local terms energy: -56.231140 where: bonds (distance) C4'-P energy: -13.730 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -11.064 flat angles P-C4'-P energy: -7.015 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: 7, replica: 7 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -90.654123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.654123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.654123 (E_RNA) where: Base-Base interactions energy: -46.151 where: short stacking energy: -39.894 Base-Backbone interact. energy: -0.041 local terms energy: -44.462169 where: bonds (distance) C4'-P energy: -11.639 bonds (distance) P-C4' energy: -13.614 flat angles C4'-P-C4' energy: -11.553 flat angles P-C4'-P energy: -6.130 tors. eta vs tors. theta energy: -1.525 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: 9 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -85.492329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.492329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.492329 (E_RNA) where: Base-Base interactions energy: -32.991 where: short stacking energy: -32.276 Base-Backbone interact. energy: -0.321 local terms energy: -52.180550 where: bonds (distance) C4'-P energy: -11.619 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -13.564 flat angles P-C4'-P energy: -6.373 tors. eta vs tors. theta energy: -5.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -75.231586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.231586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.231586 (E_RNA) where: Base-Base interactions energy: -32.643 where: short stacking energy: -32.643 Base-Backbone interact. energy: 0.814 local terms energy: -43.403289 where: bonds (distance) C4'-P energy: -10.578 bonds (distance) P-C4' energy: -10.617 flat angles C4'-P-C4' energy: -8.948 flat angles P-C4'-P energy: -7.722 tors. eta vs tors. theta energy: -5.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -74.540121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.540121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.540121 (E_RNA) where: Base-Base interactions energy: -21.500 where: short stacking energy: -21.421 Base-Backbone interact. energy: -0.042 local terms energy: -52.997766 where: bonds (distance) C4'-P energy: -13.515 bonds (distance) P-C4' energy: -14.113 flat angles C4'-P-C4' energy: -12.656 flat angles P-C4'-P energy: -6.771 tors. eta vs tors. theta energy: -5.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -164.533405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.533405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.533405 (E_RNA) where: Base-Base interactions energy: -95.859 where: short stacking energy: -65.255 Base-Backbone interact. energy: -0.003 local terms energy: -68.671061 where: bonds (distance) C4'-P energy: -13.495 bonds (distance) P-C4' energy: -14.010 flat angles C4'-P-C4' energy: -14.958 flat angles P-C4'-P energy: -8.701 tors. eta vs tors. theta energy: -17.506 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: 2 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -168.985324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.985324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.985324 (E_RNA) where: Base-Base interactions energy: -103.892 where: short stacking energy: -64.292 Base-Backbone interact. energy: -0.031 local terms energy: -65.062653 where: bonds (distance) C4'-P energy: -13.167 bonds (distance) P-C4' energy: -12.669 flat angles C4'-P-C4' energy: -13.806 flat angles P-C4'-P energy: -8.422 tors. eta vs tors. theta energy: -16.998 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: 10 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -122.843344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.843344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.843344 (E_RNA) where: Base-Base interactions energy: -57.388 where: short stacking energy: -47.089 Base-Backbone interact. energy: -0.012 local terms energy: -65.442696 where: bonds (distance) C4'-P energy: -13.970 bonds (distance) P-C4' energy: -13.184 flat angles C4'-P-C4' energy: -12.867 flat angles P-C4'-P energy: -10.494 tors. eta vs tors. theta energy: -14.927 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: 4 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -137.898621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.898621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.898621 (E_RNA) where: Base-Base interactions energy: -81.399 where: short stacking energy: -46.327 Base-Backbone interact. energy: -0.013 local terms energy: -56.487392 where: bonds (distance) C4'-P energy: -12.417 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -11.561 flat angles P-C4'-P energy: -6.030 tors. eta vs tors. theta energy: -11.433 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: 5, replica: 6 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -108.932488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.932488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.932488 (E_RNA) where: Base-Base interactions energy: -56.202 where: short stacking energy: -41.532 Base-Backbone interact. energy: -0.114 local terms energy: -52.616307 where: bonds (distance) C4'-P energy: -13.634 bonds (distance) P-C4' energy: -9.214 flat angles C4'-P-C4' energy: -11.804 flat angles P-C4'-P energy: -9.463 tors. eta vs tors. theta energy: -8.502 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: 6, replica: 7 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -99.437610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.437610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.437610 (E_RNA) where: Base-Base interactions energy: -48.031 where: short stacking energy: -40.075 Base-Backbone interact. energy: -0.056 local terms energy: -51.350150 where: bonds (distance) C4'-P energy: -10.914 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -9.052 flat angles P-C4'-P energy: -10.665 tors. eta vs tors. theta energy: -5.193 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: 7, replica: 3 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -134.973851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.973851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.973851 (E_RNA) where: Base-Base interactions energy: -79.524 where: short stacking energy: -46.895 Base-Backbone interact. energy: 0.117 local terms energy: -55.566220 where: bonds (distance) C4'-P energy: -9.036 bonds (distance) P-C4' energy: -15.103 flat angles C4'-P-C4' energy: -12.592 flat angles P-C4'-P energy: -6.818 tors. eta vs tors. theta energy: -12.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -85.312753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.312753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.312753 (E_RNA) where: Base-Base interactions energy: -41.595 where: short stacking energy: -22.648 Base-Backbone interact. energy: 0.637 local terms energy: -44.355277 where: bonds (distance) C4'-P energy: -10.902 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -11.653 flat angles P-C4'-P energy: -10.580 tors. eta vs tors. theta energy: 1.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -75.619574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.619574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.619574 (E_RNA) where: Base-Base interactions energy: -33.835 where: short stacking energy: -29.133 Base-Backbone interact. energy: 0.670 local terms energy: -42.454374 where: bonds (distance) C4'-P energy: -10.773 bonds (distance) P-C4' energy: -6.074 flat angles C4'-P-C4' energy: -14.355 flat angles P-C4'-P energy: -8.090 tors. eta vs tors. theta energy: -3.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -69.440404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.440404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.440404 (E_RNA) where: Base-Base interactions energy: -20.568 where: short stacking energy: -20.568 Base-Backbone interact. energy: -0.176 local terms energy: -48.696954 where: bonds (distance) C4'-P energy: -13.477 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -12.456 flat angles P-C4'-P energy: -8.248 tors. eta vs tors. theta energy: -0.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -163.863607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.863607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.863607 (E_RNA) where: Base-Base interactions energy: -100.508 where: short stacking energy: -68.109 Base-Backbone interact. energy: -0.002 local terms energy: -63.353585 where: bonds (distance) C4'-P energy: -13.257 bonds (distance) P-C4' energy: -13.201 flat angles C4'-P-C4' energy: -12.977 flat angles P-C4'-P energy: -10.943 tors. eta vs tors. theta energy: -12.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -154.874142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.874142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.874142 (E_RNA) where: Base-Base interactions energy: -93.146 where: short stacking energy: -62.558 Base-Backbone interact. energy: -0.002 local terms energy: -61.726431 where: bonds (distance) C4'-P energy: -11.739 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -12.203 flat angles P-C4'-P energy: -9.713 tors. eta vs tors. theta energy: -14.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -159.731202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.731202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.731202 (E_RNA) where: Base-Base interactions energy: -95.486 where: short stacking energy: -58.865 Base-Backbone interact. energy: 0.301 local terms energy: -64.546934 where: bonds (distance) C4'-P energy: -13.623 bonds (distance) P-C4' energy: -14.660 flat angles C4'-P-C4' energy: -11.881 flat angles P-C4'-P energy: -8.766 tors. eta vs tors. theta energy: -15.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -112.282389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.282389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.282389 (E_RNA) where: Base-Base interactions energy: -52.845 where: short stacking energy: -47.032 Base-Backbone interact. energy: -1.242 local terms energy: -58.195580 where: bonds (distance) C4'-P energy: -10.177 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -10.734 flat angles P-C4'-P energy: -9.130 tors. eta vs tors. theta energy: -13.491 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: 6 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -130.254125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.254125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.254125 (E_RNA) where: Base-Base interactions energy: -68.744 where: short stacking energy: -50.331 Base-Backbone interact. energy: -0.259 local terms energy: -61.251039 where: bonds (distance) C4'-P energy: -13.776 bonds (distance) P-C4' energy: -14.268 flat angles C4'-P-C4' energy: -13.035 flat angles P-C4'-P energy: -7.131 tors. eta vs tors. theta energy: -13.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -90.972722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.972722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.972722 (E_RNA) where: Base-Base interactions energy: -42.402 where: short stacking energy: -40.275 Base-Backbone interact. energy: 0.230 local terms energy: -48.800596 where: bonds (distance) C4'-P energy: -10.918 bonds (distance) P-C4' energy: -13.096 flat angles C4'-P-C4' energy: -12.770 flat angles P-C4'-P energy: -6.765 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: 7, replica: 3 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -122.746309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.746309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.746309 (E_RNA) where: Base-Base interactions energy: -71.372 where: short stacking energy: -39.591 Base-Backbone interact. energy: -0.524 local terms energy: -50.850527 where: bonds (distance) C4'-P energy: -11.425 bonds (distance) P-C4' energy: -13.429 flat angles C4'-P-C4' energy: -13.379 flat angles P-C4'-P energy: -7.746 tors. eta vs tors. theta energy: -4.872 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: 1 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -93.270799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.270799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.270799 (E_RNA) where: Base-Base interactions energy: -41.275 where: short stacking energy: -41.275 Base-Backbone interact. energy: -0.048 local terms energy: -51.947511 where: bonds (distance) C4'-P energy: -12.773 bonds (distance) P-C4' energy: -11.232 flat angles C4'-P-C4' energy: -14.113 flat angles P-C4'-P energy: -6.955 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: 9, replica: 5 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -79.426492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.426492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.426492 (E_RNA) where: Base-Base interactions energy: -34.336 where: short stacking energy: -31.171 Base-Backbone interact. energy: -0.006 local terms energy: -45.084864 where: bonds (distance) C4'-P energy: -10.674 bonds (distance) P-C4' energy: -13.461 flat angles C4'-P-C4' energy: -10.156 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: -4.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -71.588927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.588927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.588927 (E_RNA) where: Base-Base interactions energy: -34.575 where: short stacking energy: -28.928 Base-Backbone interact. energy: -0.091 local terms energy: -36.922749 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.860 flat angles C4'-P-C4' energy: -12.228 flat angles P-C4'-P energy: -10.912 tors. eta vs tors. theta energy: -0.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -171.721284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.721284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.721284 (E_RNA) where: Base-Base interactions energy: -104.763 where: short stacking energy: -63.970 Base-Backbone interact. energy: -0.000 local terms energy: -66.958591 where: bonds (distance) C4'-P energy: -14.512 bonds (distance) P-C4' energy: -12.348 flat angles C4'-P-C4' energy: -13.589 flat angles P-C4'-P energy: -7.652 tors. eta vs tors. theta energy: -18.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -155.344261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.344261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.344261 (E_RNA) where: Base-Base interactions energy: -92.521 where: short stacking energy: -57.238 Base-Backbone interact. energy: -0.001 local terms energy: -62.822584 where: bonds (distance) C4'-P energy: -10.063 bonds (distance) P-C4' energy: -15.992 flat angles C4'-P-C4' energy: -14.465 flat angles P-C4'-P energy: -8.841 tors. eta vs tors. theta energy: -13.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -149.005815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.005815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.005815 (E_RNA) where: Base-Base interactions energy: -87.900 where: short stacking energy: -51.682 Base-Backbone interact. energy: -0.233 local terms energy: -60.872610 where: bonds (distance) C4'-P energy: -12.161 bonds (distance) P-C4' energy: -11.961 flat angles C4'-P-C4' energy: -14.047 flat angles P-C4'-P energy: -10.057 tors. eta vs tors. theta energy: -12.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -111.187196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.187196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.187196 (E_RNA) where: Base-Base interactions energy: -57.887 where: short stacking energy: -33.781 Base-Backbone interact. energy: -0.219 local terms energy: -53.081439 where: bonds (distance) C4'-P energy: -14.371 bonds (distance) P-C4' energy: -11.891 flat angles C4'-P-C4' energy: -12.339 flat angles P-C4'-P energy: -8.978 tors. eta vs tors. theta energy: -5.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -92.644107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.644107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.644107 (E_RNA) where: Base-Base interactions energy: -37.684 where: short stacking energy: -37.684 Base-Backbone interact. energy: -0.119 local terms energy: -54.840998 where: bonds (distance) C4'-P energy: -14.905 bonds (distance) P-C4' energy: -12.619 flat angles C4'-P-C4' energy: -12.000 flat angles P-C4'-P energy: -9.400 tors. eta vs tors. theta energy: -5.917 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: 3 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -128.363328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.363328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.363328 (E_RNA) where: Base-Base interactions energy: -79.451 where: short stacking energy: -49.707 Base-Backbone interact. energy: -0.499 local terms energy: -48.413720 where: bonds (distance) C4'-P energy: -9.618 bonds (distance) P-C4' energy: -7.063 flat angles C4'-P-C4' energy: -15.104 flat angles P-C4'-P energy: -5.177 tors. eta vs tors. theta energy: -11.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -87.605899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.605899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.605899 (E_RNA) where: Base-Base interactions energy: -35.546 where: short stacking energy: -35.546 Base-Backbone interact. energy: -0.051 local terms energy: -52.008997 where: bonds (distance) C4'-P energy: -10.182 bonds (distance) P-C4' energy: -15.647 flat angles C4'-P-C4' energy: -14.762 flat angles P-C4'-P energy: -7.253 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: 8, replica: 1 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -87.700830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.700830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.700830 (E_RNA) where: Base-Base interactions energy: -39.521 where: short stacking energy: -36.554 Base-Backbone interact. energy: -0.033 local terms energy: -48.146482 where: bonds (distance) C4'-P energy: -10.584 bonds (distance) P-C4' energy: -13.486 flat angles C4'-P-C4' energy: -10.493 flat angles P-C4'-P energy: -6.687 tors. eta vs tors. theta energy: -6.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -70.569768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.569768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.569768 (E_RNA) where: Base-Base interactions energy: -28.534 where: short stacking energy: -27.403 Base-Backbone interact. energy: 1.403 local terms energy: -43.437980 where: bonds (distance) C4'-P energy: -11.685 bonds (distance) P-C4' energy: -8.843 flat angles C4'-P-C4' energy: -12.352 flat angles P-C4'-P energy: -7.783 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: 10, replica: 9 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -73.497568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.497568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.497568 (E_RNA) where: Base-Base interactions energy: -27.961 where: short stacking energy: -28.227 Base-Backbone interact. energy: 0.663 local terms energy: -46.199646 where: bonds (distance) C4'-P energy: -12.621 bonds (distance) P-C4' energy: -11.160 flat angles C4'-P-C4' energy: -10.285 flat angles P-C4'-P energy: -8.411 tors. eta vs tors. theta energy: -3.723 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: 2 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -179.827025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.827025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.827025 (E_RNA) where: Base-Base interactions energy: -110.542 where: short stacking energy: -67.222 Base-Backbone interact. energy: -0.614 local terms energy: -68.670995 where: bonds (distance) C4'-P energy: -12.914 bonds (distance) P-C4' energy: -13.134 flat angles C4'-P-C4' energy: -12.195 flat angles P-C4'-P energy: -10.675 tors. eta vs tors. theta energy: -19.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -155.510270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.510270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.510270 (E_RNA) where: Base-Base interactions energy: -92.367 where: short stacking energy: -53.279 Base-Backbone interact. energy: -0.053 local terms energy: -63.090313 where: bonds (distance) C4'-P energy: -13.241 bonds (distance) P-C4' energy: -15.012 flat angles C4'-P-C4' energy: -12.303 flat angles P-C4'-P energy: -7.606 tors. eta vs tors. theta energy: -14.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -144.000523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.000523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.000523 (E_RNA) where: Base-Base interactions energy: -86.744 where: short stacking energy: -59.221 Base-Backbone interact. energy: -1.251 local terms energy: -56.005937 where: bonds (distance) C4'-P energy: -11.155 bonds (distance) P-C4' energy: -12.413 flat angles C4'-P-C4' energy: -10.953 flat angles P-C4'-P energy: -9.431 tors. eta vs tors. theta energy: -12.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -108.579662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.579662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.579662 (E_RNA) where: Base-Base interactions energy: -51.137 where: short stacking energy: -51.137 Base-Backbone interact. energy: -0.001 local terms energy: -57.441018 where: bonds (distance) C4'-P energy: -13.349 bonds (distance) P-C4' energy: -12.085 flat angles C4'-P-C4' energy: -12.365 flat angles P-C4'-P energy: -7.771 tors. eta vs tors. theta energy: -11.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -133.883644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.883644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.883644 (E_RNA) where: Base-Base interactions energy: -77.512 where: short stacking energy: -48.329 Base-Backbone interact. energy: -0.002 local terms energy: -56.369111 where: bonds (distance) C4'-P energy: -11.102 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -10.099 flat angles P-C4'-P energy: -9.135 tors. eta vs tors. theta energy: -10.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -90.722102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.722102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.722102 (E_RNA) where: Base-Base interactions energy: -42.535 where: short stacking energy: -42.535 Base-Backbone interact. energy: -0.092 local terms energy: -48.095567 where: bonds (distance) C4'-P energy: -8.415 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -8.826 flat angles P-C4'-P energy: -8.363 tors. eta vs tors. theta energy: -8.536 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: 7, replica: 7 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -96.854214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.854214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.854214 (E_RNA) where: Base-Base interactions energy: -50.281 where: short stacking energy: -50.281 Base-Backbone interact. energy: -0.226 local terms energy: -46.346657 where: bonds (distance) C4'-P energy: -9.511 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -11.343 flat angles P-C4'-P energy: -7.535 tors. eta vs tors. theta energy: -3.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -78.346191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.346191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.346191 (E_RNA) where: Base-Base interactions energy: -35.394 where: short stacking energy: -34.166 Base-Backbone interact. energy: -0.115 local terms energy: -42.837127 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -14.504 flat angles C4'-P-C4' energy: -9.392 flat angles P-C4'-P energy: -6.065 tors. eta vs tors. theta energy: -5.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -77.604979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.604979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.604979 (E_RNA) where: Base-Base interactions energy: -38.379 where: short stacking energy: -29.909 Base-Backbone interact. energy: 0.031 local terms energy: -39.257267 where: bonds (distance) C4'-P energy: -10.484 bonds (distance) P-C4' energy: -6.869 flat angles C4'-P-C4' energy: -10.956 flat angles P-C4'-P energy: -4.574 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: 10, replica: 5 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -67.375641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.375641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.375641 (E_RNA) where: Base-Base interactions energy: -27.520 where: short stacking energy: -27.520 Base-Backbone interact. energy: 0.205 local terms energy: -40.060079 where: bonds (distance) C4'-P energy: -8.323 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -12.494 flat angles P-C4'-P energy: 0.830 tors. eta vs tors. theta energy: -5.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -173.972258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.972258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.972258 (E_RNA) where: Base-Base interactions energy: -104.290 where: short stacking energy: -68.388 Base-Backbone interact. energy: -0.009 local terms energy: -69.672844 where: bonds (distance) C4'-P energy: -13.341 bonds (distance) P-C4' energy: -13.815 flat angles C4'-P-C4' energy: -12.141 flat angles P-C4'-P energy: -10.714 tors. eta vs tors. theta energy: -19.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -143.194684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.194684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.194684 (E_RNA) where: Base-Base interactions energy: -81.814 where: short stacking energy: -51.471 Base-Backbone interact. energy: -0.665 local terms energy: -60.715016 where: bonds (distance) C4'-P energy: -13.639 bonds (distance) P-C4' energy: -12.940 flat angles C4'-P-C4' energy: -11.938 flat angles P-C4'-P energy: -8.013 tors. eta vs tors. theta energy: -14.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -141.305629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.305629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.305629 (E_RNA) where: Base-Base interactions energy: -85.880 where: short stacking energy: -48.385 Base-Backbone interact. energy: -0.698 local terms energy: -54.728056 where: bonds (distance) C4'-P energy: -7.797 bonds (distance) P-C4' energy: -12.171 flat angles C4'-P-C4' energy: -15.322 flat angles P-C4'-P energy: -8.617 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: 4, replica: 3 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -133.571574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.571574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.571574 (E_RNA) where: Base-Base interactions energy: -77.691 where: short stacking energy: -48.393 Base-Backbone interact. energy: 0.715 local terms energy: -56.595263 where: bonds (distance) C4'-P energy: -14.069 bonds (distance) P-C4' energy: -12.837 flat angles C4'-P-C4' energy: -13.008 flat angles P-C4'-P energy: -6.012 tors. eta vs tors. theta energy: -10.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -113.359785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.359785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.359785 (E_RNA) where: Base-Base interactions energy: -60.683 where: short stacking energy: -40.324 Base-Backbone interact. energy: -1.121 local terms energy: -51.555507 where: bonds (distance) C4'-P energy: -11.990 bonds (distance) P-C4' energy: -12.305 flat angles C4'-P-C4' energy: -12.944 flat angles P-C4'-P energy: -8.525 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: 6, replica: 7 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -80.753271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.753271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.753271 (E_RNA) where: Base-Base interactions energy: -34.657 where: short stacking energy: -34.657 Base-Backbone interact. energy: 0.423 local terms energy: -46.519276 where: bonds (distance) C4'-P energy: -13.286 bonds (distance) P-C4' energy: -11.492 flat angles C4'-P-C4' energy: -11.677 flat angles P-C4'-P energy: -6.077 tors. eta vs tors. theta energy: -3.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -100.456633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.456633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.456633 (E_RNA) where: Base-Base interactions energy: -45.509 where: short stacking energy: -45.509 Base-Backbone interact. energy: -0.012 local terms energy: -54.936131 where: bonds (distance) C4'-P energy: -12.943 bonds (distance) P-C4' energy: -10.683 flat angles C4'-P-C4' energy: -13.567 flat angles P-C4'-P energy: -10.166 tors. eta vs tors. theta energy: -7.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -91.645540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.645540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.645540 (E_RNA) where: Base-Base interactions energy: -39.166 where: short stacking energy: -36.089 Base-Backbone interact. energy: -0.360 local terms energy: -52.120216 where: bonds (distance) C4'-P energy: -14.466 bonds (distance) P-C4' energy: -13.919 flat angles C4'-P-C4' energy: -7.549 flat angles P-C4'-P energy: -9.764 tors. eta vs tors. theta energy: -6.422 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: 1 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -77.414733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.414733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.414733 (E_RNA) where: Base-Base interactions energy: -33.726 where: short stacking energy: -32.881 Base-Backbone interact. energy: -0.144 local terms energy: -43.544508 where: bonds (distance) C4'-P energy: -14.234 bonds (distance) P-C4' energy: -10.402 flat angles C4'-P-C4' energy: -11.265 flat angles P-C4'-P energy: -4.110 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: 10, replica: 5 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -84.410481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.410481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.410481 (E_RNA) where: Base-Base interactions energy: -36.179 where: short stacking energy: -36.043 Base-Backbone interact. energy: -0.003 local terms energy: -48.228484 where: bonds (distance) C4'-P energy: -9.270 bonds (distance) P-C4' energy: -13.777 flat angles C4'-P-C4' energy: -9.904 flat angles P-C4'-P energy: -6.684 tors. eta vs tors. theta energy: -8.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -160.080913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.080913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.080913 (E_RNA) where: Base-Base interactions energy: -93.215 where: short stacking energy: -60.866 Base-Backbone interact. energy: 0.095 local terms energy: -66.960597 where: bonds (distance) C4'-P energy: -13.696 bonds (distance) P-C4' energy: -15.538 flat angles C4'-P-C4' energy: -13.598 flat angles P-C4'-P energy: -9.006 tors. eta vs tors. theta energy: -15.123 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: 8 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -149.568247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.568247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.568247 (E_RNA) where: Base-Base interactions energy: -94.131 where: short stacking energy: -56.760 Base-Backbone interact. energy: -0.215 local terms energy: -55.221917 where: bonds (distance) C4'-P energy: -11.904 bonds (distance) P-C4' energy: -14.486 flat angles C4'-P-C4' energy: -10.957 flat angles P-C4'-P energy: -8.750 tors. eta vs tors. theta energy: -9.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -137.127948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.127948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.127948 (E_RNA) where: Base-Base interactions energy: -88.628 where: short stacking energy: -52.651 Base-Backbone interact. energy: -1.098 local terms energy: -47.401364 where: bonds (distance) C4'-P energy: -10.567 bonds (distance) P-C4' energy: -10.912 flat angles C4'-P-C4' energy: -8.655 flat angles P-C4'-P energy: -5.193 tors. eta vs tors. theta energy: -12.074 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: 3 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -125.327134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.327134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.327134 (E_RNA) where: Base-Base interactions energy: -77.410 where: short stacking energy: -41.419 Base-Backbone interact. energy: -0.290 local terms energy: -47.627871 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -10.288 flat angles C4'-P-C4' energy: -13.091 flat angles P-C4'-P energy: -9.052 tors. eta vs tors. theta energy: -1.690 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: 7 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -97.985211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.985211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.985211 (E_RNA) where: Base-Base interactions energy: -42.480 where: short stacking energy: -42.480 Base-Backbone interact. energy: -0.270 local terms energy: -55.235878 where: bonds (distance) C4'-P energy: -9.755 bonds (distance) P-C4' energy: -15.784 flat angles C4'-P-C4' energy: -14.089 flat angles P-C4'-P energy: -7.625 tors. eta vs tors. theta energy: -7.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -94.904687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.904687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.904687 (E_RNA) where: Base-Base interactions energy: -41.179 where: short stacking energy: -40.195 Base-Backbone interact. energy: -0.096 local terms energy: -53.629938 where: bonds (distance) C4'-P energy: -11.365 bonds (distance) P-C4' energy: -12.004 flat angles C4'-P-C4' energy: -11.727 flat angles P-C4'-P energy: -10.078 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: 7, replica: 9 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -92.146261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.146261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.146261 (E_RNA) where: Base-Base interactions energy: -35.916 where: short stacking energy: -33.325 Base-Backbone interact. energy: -0.953 local terms energy: -55.277048 where: bonds (distance) C4'-P energy: -11.146 bonds (distance) P-C4' energy: -9.642 flat angles C4'-P-C4' energy: -12.754 flat angles P-C4'-P energy: -11.148 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: 8, replica: 10 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -87.005393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.005393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.005393 (E_RNA) where: Base-Base interactions energy: -34.955 where: short stacking energy: -34.955 Base-Backbone interact. energy: -0.077 local terms energy: -51.973383 where: bonds (distance) C4'-P energy: -9.387 bonds (distance) P-C4' energy: -13.100 flat angles C4'-P-C4' energy: -11.735 flat angles P-C4'-P energy: -9.932 tors. eta vs tors. theta energy: -7.820 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: 5 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -79.820131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.820131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.820131 (E_RNA) where: Base-Base interactions energy: -33.457 where: short stacking energy: -32.229 Base-Backbone interact. energy: -0.022 local terms energy: -46.340365 where: bonds (distance) C4'-P energy: -12.691 bonds (distance) P-C4' energy: -12.250 flat angles C4'-P-C4' energy: -10.665 flat angles P-C4'-P energy: -5.935 tors. eta vs tors. theta energy: -4.799 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: 10, replica: 1 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -72.223317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.223317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.223317 (E_RNA) where: Base-Base interactions energy: -29.745 where: short stacking energy: -19.446 Base-Backbone interact. energy: -0.616 local terms energy: -41.861711 where: bonds (distance) C4'-P energy: -9.180 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -8.412 flat angles P-C4'-P energy: -7.265 tors. eta vs tors. theta energy: -3.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -170.690485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.690485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.690485 (E_RNA) where: Base-Base interactions energy: -109.681 where: short stacking energy: -68.471 Base-Backbone interact. energy: -0.284 local terms energy: -60.725937 where: bonds (distance) C4'-P energy: -7.130 bonds (distance) P-C4' energy: -11.270 flat angles C4'-P-C4' energy: -12.760 flat angles P-C4'-P energy: -12.651 tors. eta vs tors. theta energy: -16.915 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: 2, replica: 4 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -128.394204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.394204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.394204 (E_RNA) where: Base-Base interactions energy: -75.370 where: short stacking energy: -45.444 Base-Backbone interact. energy: -0.029 local terms energy: -52.995023 where: bonds (distance) C4'-P energy: -14.264 bonds (distance) P-C4' energy: -12.940 flat angles C4'-P-C4' energy: -9.617 flat angles P-C4'-P energy: -10.634 tors. eta vs tors. theta energy: -5.540 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: 8 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -152.287195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.287195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.287195 (E_RNA) where: Base-Base interactions energy: -94.157 where: short stacking energy: -59.686 Base-Backbone interact. energy: -0.020 local terms energy: -58.109419 where: bonds (distance) C4'-P energy: -12.959 bonds (distance) P-C4' energy: -13.201 flat angles C4'-P-C4' energy: -12.525 flat angles P-C4'-P energy: -7.074 tors. eta vs tors. theta energy: -12.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -126.045657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.045657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.045657 (E_RNA) where: Base-Base interactions energy: -72.884 where: short stacking energy: -47.568 Base-Backbone interact. energy: -0.240 local terms energy: -52.921591 where: bonds (distance) C4'-P energy: -9.609 bonds (distance) P-C4' energy: -11.324 flat angles C4'-P-C4' energy: -13.511 flat angles P-C4'-P energy: -10.455 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: 5, replica: 7 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -114.450798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.450798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.450798 (E_RNA) where: Base-Base interactions energy: -71.443 where: short stacking energy: -39.641 Base-Backbone interact. energy: -0.491 local terms energy: -42.516787 where: bonds (distance) C4'-P energy: -8.066 bonds (distance) P-C4' energy: -13.876 flat angles C4'-P-C4' energy: -7.359 flat angles P-C4'-P energy: -5.437 tors. eta vs tors. theta energy: -7.779 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: 6, replica: 9 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -84.538500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.538500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.538500 (E_RNA) where: Base-Base interactions energy: -36.487 where: short stacking energy: -36.487 Base-Backbone interact. energy: -0.531 local terms energy: -47.520841 where: bonds (distance) C4'-P energy: -13.830 bonds (distance) P-C4' energy: -12.645 flat angles C4'-P-C4' energy: -12.681 flat angles P-C4'-P energy: -6.532 tors. eta vs tors. theta energy: -1.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -83.510258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.510258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.510258 (E_RNA) where: Base-Base interactions energy: -33.787 where: short stacking energy: -29.237 Base-Backbone interact. energy: 0.628 local terms energy: -50.351851 where: bonds (distance) C4'-P energy: -13.635 bonds (distance) P-C4' energy: -13.100 flat angles C4'-P-C4' energy: -15.432 flat angles P-C4'-P energy: -4.231 tors. eta vs tors. theta energy: -3.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -85.338044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.338044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.338044 (E_RNA) where: Base-Base interactions energy: -36.038 where: short stacking energy: -35.567 Base-Backbone interact. energy: -0.210 local terms energy: -49.089992 where: bonds (distance) C4'-P energy: -9.933 bonds (distance) P-C4' energy: -10.530 flat angles C4'-P-C4' energy: -13.312 flat angles P-C4'-P energy: -8.505 tors. eta vs tors. theta energy: -6.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -77.872177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.872177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.872177 (E_RNA) where: Base-Base interactions energy: -29.306 where: short stacking energy: -25.975 Base-Backbone interact. energy: -0.358 local terms energy: -48.207995 where: bonds (distance) C4'-P energy: -10.989 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -12.502 flat angles P-C4'-P energy: -5.898 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: 10, replica: 1 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -79.963556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.963556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.963556 (E_RNA) where: Base-Base interactions energy: -34.526 where: short stacking energy: -34.526 Base-Backbone interact. energy: -0.289 local terms energy: -45.147953 where: bonds (distance) C4'-P energy: -13.481 bonds (distance) P-C4' energy: -13.189 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -9.132 tors. eta vs tors. theta energy: -3.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -170.954147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.954147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.954147 (E_RNA) where: Base-Base interactions energy: -103.402 where: short stacking energy: -62.853 Base-Backbone interact. energy: -0.003 local terms energy: -67.548892 where: bonds (distance) C4'-P energy: -9.791 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -14.301 flat angles P-C4'-P energy: -10.596 tors. eta vs tors. theta energy: -17.843 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: 4 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -142.734136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.734136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.734136 (E_RNA) where: Base-Base interactions energy: -82.025 where: short stacking energy: -56.270 Base-Backbone interact. energy: -0.487 local terms energy: -60.222378 where: bonds (distance) C4'-P energy: -14.707 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -9.182 flat angles P-C4'-P energy: -10.832 tors. eta vs tors. theta energy: -12.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -152.475527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.475527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.475527 (E_RNA) where: Base-Base interactions energy: -90.044 where: short stacking energy: -48.781 Base-Backbone interact. energy: -0.130 local terms energy: -62.301249 where: bonds (distance) C4'-P energy: -15.287 bonds (distance) P-C4' energy: -13.673 flat angles C4'-P-C4' energy: -12.177 flat angles P-C4'-P energy: -8.937 tors. eta vs tors. theta energy: -12.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -137.980658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.980658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.980658 (E_RNA) where: Base-Base interactions energy: -82.502 where: short stacking energy: -50.770 Base-Backbone interact. energy: -0.061 local terms energy: -55.418331 where: bonds (distance) C4'-P energy: -13.171 bonds (distance) P-C4' energy: -13.382 flat angles C4'-P-C4' energy: -9.017 flat angles P-C4'-P energy: -9.402 tors. eta vs tors. theta energy: -10.446 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: 7 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -136.164152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.164152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.164152 (E_RNA) where: Base-Base interactions energy: -82.486 where: short stacking energy: -47.437 Base-Backbone interact. energy: -0.319 local terms energy: -53.359224 where: bonds (distance) C4'-P energy: -6.137 bonds (distance) P-C4' energy: -13.535 flat angles C4'-P-C4' energy: -14.499 flat angles P-C4'-P energy: -9.401 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: 6, replica: 9 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -92.626009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.626009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.626009 (E_RNA) where: Base-Base interactions energy: -38.517 where: short stacking energy: -38.517 Base-Backbone interact. energy: -0.008 local terms energy: -54.101222 where: bonds (distance) C4'-P energy: -13.589 bonds (distance) P-C4' energy: -14.339 flat angles C4'-P-C4' energy: -11.570 flat angles P-C4'-P energy: -5.805 tors. eta vs tors. theta energy: -8.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -108.438491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.438491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.438491 (E_RNA) where: Base-Base interactions energy: -53.339 where: short stacking energy: -53.339 Base-Backbone interact. energy: -0.030 local terms energy: -55.069738 where: bonds (distance) C4'-P energy: -8.370 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -9.981 flat angles P-C4'-P energy: -7.602 tors. eta vs tors. theta energy: -15.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -88.302411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.302411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.302411 (E_RNA) where: Base-Base interactions energy: -40.653 where: short stacking energy: -40.653 Base-Backbone interact. energy: -0.099 local terms energy: -47.550474 where: bonds (distance) C4'-P energy: -13.171 bonds (distance) P-C4' energy: -6.606 flat angles C4'-P-C4' energy: -12.114 flat angles P-C4'-P energy: -7.500 tors. eta vs tors. theta energy: -8.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -77.059975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.059975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.059975 (E_RNA) where: Base-Base interactions energy: -33.669 where: short stacking energy: -32.463 Base-Backbone interact. energy: 0.130 local terms energy: -43.520205 where: bonds (distance) C4'-P energy: -9.449 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -9.946 flat angles P-C4'-P energy: -7.314 tors. eta vs tors. theta energy: -2.573 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: 10 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -77.740679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.740679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.740679 (E_RNA) where: Base-Base interactions energy: -34.383 where: short stacking energy: -31.603 Base-Backbone interact. energy: -0.065 local terms energy: -43.293041 where: bonds (distance) C4'-P energy: -9.185 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -7.465 flat angles P-C4'-P energy: -6.139 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: 1, replica: 2 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -175.592267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.592267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.592267 (E_RNA) where: Base-Base interactions energy: -108.606 where: short stacking energy: -67.424 Base-Backbone interact. energy: -0.002 local terms energy: -66.984027 where: bonds (distance) C4'-P energy: -15.357 bonds (distance) P-C4' energy: -13.746 flat angles C4'-P-C4' energy: -9.736 flat angles P-C4'-P energy: -9.081 tors. eta vs tors. theta energy: -19.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -155.121626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.121626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.121626 (E_RNA) where: Base-Base interactions energy: -92.787 where: short stacking energy: -59.866 Base-Backbone interact. energy: -0.158 local terms energy: -62.177053 where: bonds (distance) C4'-P energy: -12.972 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -13.509 flat angles P-C4'-P energy: -9.716 tors. eta vs tors. theta energy: -11.453 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: 4 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -150.846914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.846914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.846914 (E_RNA) where: Base-Base interactions energy: -84.536 where: short stacking energy: -54.062 Base-Backbone interact. energy: -0.013 local terms energy: -66.298047 where: bonds (distance) C4'-P energy: -13.043 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -14.940 flat angles P-C4'-P energy: -10.993 tors. eta vs tors. theta energy: -12.492 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: 3 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -134.719820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.719820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.719820 (E_RNA) where: Base-Base interactions energy: -76.945 where: short stacking energy: -46.735 Base-Backbone interact. energy: 0.460 local terms energy: -58.235402 where: bonds (distance) C4'-P energy: -13.234 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -11.686 flat angles P-C4'-P energy: -9.184 tors. eta vs tors. theta energy: -10.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -131.734747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.734747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.734747 (E_RNA) where: Base-Base interactions energy: -69.781 where: short stacking energy: -46.124 Base-Backbone interact. energy: -0.230 local terms energy: -61.723220 where: bonds (distance) C4'-P energy: -14.761 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -14.476 flat angles P-C4'-P energy: -8.037 tors. eta vs tors. theta energy: -10.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -91.375009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.375009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.375009 (E_RNA) where: Base-Base interactions energy: -46.939 where: short stacking energy: -47.339 Base-Backbone interact. energy: 0.857 local terms energy: -45.293450 where: bonds (distance) C4'-P energy: -14.500 bonds (distance) P-C4' energy: -8.811 flat angles C4'-P-C4' energy: -7.110 flat angles P-C4'-P energy: -9.744 tors. eta vs tors. theta energy: -5.129 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: 7, replica: 9 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -100.457646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.457646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.457646 (E_RNA) where: Base-Base interactions energy: -50.915 where: short stacking energy: -48.416 Base-Backbone interact. energy: -0.003 local terms energy: -49.539638 where: bonds (distance) C4'-P energy: -10.791 bonds (distance) P-C4' energy: -11.779 flat angles C4'-P-C4' energy: -12.428 flat angles P-C4'-P energy: -9.182 tors. eta vs tors. theta energy: -5.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -88.264033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.264033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.264033 (E_RNA) where: Base-Base interactions energy: -42.177 where: short stacking energy: -42.177 Base-Backbone interact. energy: -0.251 local terms energy: -45.836533 where: bonds (distance) C4'-P energy: -14.246 bonds (distance) P-C4' energy: -12.250 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -7.249 tors. eta vs tors. theta energy: -6.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -81.164587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.164587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.164587 (E_RNA) where: Base-Base interactions energy: -41.039 where: short stacking energy: -36.245 Base-Backbone interact. energy: -0.040 local terms energy: -40.085150 where: bonds (distance) C4'-P energy: -11.348 bonds (distance) P-C4' energy: -10.949 flat angles C4'-P-C4' energy: -4.549 flat angles P-C4'-P energy: -7.028 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: 10, replica: 10 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -78.230675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.230675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.230675 (E_RNA) where: Base-Base interactions energy: -31.012 where: short stacking energy: -31.012 Base-Backbone interact. energy: -0.048 local terms energy: -47.170946 where: bonds (distance) C4'-P energy: -12.328 bonds (distance) P-C4' energy: -14.458 flat angles C4'-P-C4' energy: -8.886 flat angles P-C4'-P energy: -5.824 tors. eta vs tors. theta energy: -5.674 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: 8 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -162.344459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.344459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.344459 (E_RNA) where: Base-Base interactions energy: -103.332 where: short stacking energy: -53.454 Base-Backbone interact. energy: -0.060 local terms energy: -58.952507 where: bonds (distance) C4'-P energy: -10.145 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -12.850 flat angles P-C4'-P energy: -7.426 tors. eta vs tors. theta energy: -13.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -163.183813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.183813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.183813 (E_RNA) where: Base-Base interactions energy: -99.167 where: short stacking energy: -66.978 Base-Backbone interact. energy: -0.034 local terms energy: -63.982822 where: bonds (distance) C4'-P energy: -13.101 bonds (distance) P-C4' energy: -13.694 flat angles C4'-P-C4' energy: -10.607 flat angles P-C4'-P energy: -9.402 tors. eta vs tors. theta energy: -17.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -141.948017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.948017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.948017 (E_RNA) where: Base-Base interactions energy: -88.246 where: short stacking energy: -49.610 Base-Backbone interact. energy: -0.093 local terms energy: -53.608606 where: bonds (distance) C4'-P energy: -14.231 bonds (distance) P-C4' energy: -10.562 flat angles C4'-P-C4' energy: -11.693 flat angles P-C4'-P energy: -7.146 tors. eta vs tors. theta energy: -9.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -141.960696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.960696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.960696 (E_RNA) where: Base-Base interactions energy: -89.182 where: short stacking energy: -46.937 Base-Backbone interact. energy: -0.317 local terms energy: -52.461871 where: bonds (distance) C4'-P energy: -12.310 bonds (distance) P-C4' energy: -9.870 flat angles C4'-P-C4' energy: -12.909 flat angles P-C4'-P energy: -9.277 tors. eta vs tors. theta energy: -8.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -147.011331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.011331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.011331 (E_RNA) where: Base-Base interactions energy: -89.197 where: short stacking energy: -49.324 Base-Backbone interact. energy: -1.298 local terms energy: -56.516228 where: bonds (distance) C4'-P energy: -13.668 bonds (distance) P-C4' energy: -10.226 flat angles C4'-P-C4' energy: -13.140 flat angles P-C4'-P energy: -8.685 tors. eta vs tors. theta energy: -10.798 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: 6, replica: 6 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -89.259072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.259072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.259072 (E_RNA) where: Base-Base interactions energy: -38.665 where: short stacking energy: -38.665 Base-Backbone interact. energy: -0.038 local terms energy: -50.556431 where: bonds (distance) C4'-P energy: -9.708 bonds (distance) P-C4' energy: -12.521 flat angles C4'-P-C4' energy: -11.630 flat angles P-C4'-P energy: -7.866 tors. eta vs tors. theta energy: -8.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -78.296566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.296566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.296566 (E_RNA) where: Base-Base interactions energy: -33.181 where: short stacking energy: -31.924 Base-Backbone interact. energy: 0.360 local terms energy: -45.475656 where: bonds (distance) C4'-P energy: -13.030 bonds (distance) P-C4' energy: -13.745 flat angles C4'-P-C4' energy: -5.004 flat angles P-C4'-P energy: -6.416 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: 8, replica: 9 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -84.419711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.419711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.419711 (E_RNA) where: Base-Base interactions energy: -34.080 where: short stacking energy: -33.731 Base-Backbone interact. energy: 0.633 local terms energy: -50.972446 where: bonds (distance) C4'-P energy: -13.179 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -8.506 flat angles P-C4'-P energy: -6.766 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: 9, replica: 10 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -64.903836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.903836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.903836 (E_RNA) where: Base-Base interactions energy: -24.790 where: short stacking energy: -25.490 Base-Backbone interact. energy: -0.187 local terms energy: -39.927752 where: bonds (distance) C4'-P energy: -12.968 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -6.946 flat angles P-C4'-P energy: -6.265 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: 10, replica: 5 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -68.096477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.096477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.096477 (E_RNA) where: Base-Base interactions energy: -31.493 where: short stacking energy: -27.982 Base-Backbone interact. energy: 1.758 local terms energy: -38.361461 where: bonds (distance) C4'-P energy: -11.509 bonds (distance) P-C4' energy: -14.939 flat angles C4'-P-C4' energy: -8.985 flat angles P-C4'-P energy: -2.634 tors. eta vs tors. theta energy: -0.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -154.613820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.613820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.613820 (E_RNA) where: Base-Base interactions energy: -88.511 where: short stacking energy: -57.117 Base-Backbone interact. energy: -0.003 local terms energy: -66.099577 where: bonds (distance) C4'-P energy: -14.690 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -11.708 flat angles P-C4'-P energy: -7.624 tors. eta vs tors. theta energy: -16.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -148.477500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.477500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.477500 (E_RNA) where: Base-Base interactions energy: -84.360 where: short stacking energy: -53.764 Base-Backbone interact. energy: -0.511 local terms energy: -63.606911 where: bonds (distance) C4'-P energy: -15.675 bonds (distance) P-C4' energy: -12.247 flat angles C4'-P-C4' energy: -14.906 flat angles P-C4'-P energy: -6.425 tors. eta vs tors. theta energy: -14.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -148.866149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.866149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.866149 (E_RNA) where: Base-Base interactions energy: -90.151 where: short stacking energy: -53.004 Base-Backbone interact. energy: -0.041 local terms energy: -58.674028 where: bonds (distance) C4'-P energy: -10.348 bonds (distance) P-C4' energy: -14.268 flat angles C4'-P-C4' energy: -12.886 flat angles P-C4'-P energy: -6.861 tors. eta vs tors. theta energy: -14.310 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: 7 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -139.007641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.007641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.007641 (E_RNA) where: Base-Base interactions energy: -92.810 where: short stacking energy: -55.725 Base-Backbone interact. energy: -0.070 local terms energy: -46.127389 where: bonds (distance) C4'-P energy: -10.728 bonds (distance) P-C4' energy: -13.130 flat angles C4'-P-C4' energy: -4.557 flat angles P-C4'-P energy: -8.900 tors. eta vs tors. theta energy: -8.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -141.485652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.485652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.485652 (E_RNA) where: Base-Base interactions energy: -81.419 where: short stacking energy: -49.361 Base-Backbone interact. energy: -0.021 local terms energy: -60.046004 where: bonds (distance) C4'-P energy: -13.552 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -11.087 flat angles P-C4'-P energy: -8.037 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: 6, replica: 6 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -99.184291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.184291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.184291 (E_RNA) where: Base-Base interactions energy: -46.444 where: short stacking energy: -40.964 Base-Backbone interact. energy: -0.006 local terms energy: -52.735024 where: bonds (distance) C4'-P energy: -14.455 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -14.297 flat angles P-C4'-P energy: -9.206 tors. eta vs tors. theta energy: -7.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -84.796820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.796820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.796820 (E_RNA) where: Base-Base interactions energy: -33.776 where: short stacking energy: -33.776 Base-Backbone interact. energy: -0.004 local terms energy: -51.016996 where: bonds (distance) C4'-P energy: -9.693 bonds (distance) P-C4' energy: -13.722 flat angles C4'-P-C4' energy: -14.682 flat angles P-C4'-P energy: -9.056 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: 8, replica: 10 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -78.114039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.114039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.114039 (E_RNA) where: Base-Base interactions energy: -33.745 where: short stacking energy: -32.502 Base-Backbone interact. energy: -0.231 local terms energy: -44.137885 where: bonds (distance) C4'-P energy: -13.125 bonds (distance) P-C4' energy: -9.964 flat angles C4'-P-C4' energy: -10.257 flat angles P-C4'-P energy: -8.232 tors. eta vs tors. theta energy: -2.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -89.931917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.931917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.931917 (E_RNA) where: Base-Base interactions energy: -38.418 where: short stacking energy: -36.819 Base-Backbone interact. energy: -0.280 local terms energy: -51.234485 where: bonds (distance) C4'-P energy: -10.844 bonds (distance) P-C4' energy: -12.830 flat angles C4'-P-C4' energy: -14.478 flat angles P-C4'-P energy: -4.862 tors. eta vs tors. theta energy: -8.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -74.554244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.554244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.554244 (E_RNA) where: Base-Base interactions energy: -29.398 where: short stacking energy: -26.763 Base-Backbone interact. energy: 0.181 local terms energy: -45.336926 where: bonds (distance) C4'-P energy: -12.037 bonds (distance) P-C4' energy: -11.004 flat angles C4'-P-C4' energy: -11.915 flat angles P-C4'-P energy: -5.821 tors. eta vs tors. theta energy: -4.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -158.747583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.747583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.747583 (E_RNA) where: Base-Base interactions energy: -95.429 where: short stacking energy: -57.533 Base-Backbone interact. energy: 0.386 local terms energy: -63.704631 where: bonds (distance) C4'-P energy: -11.713 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -10.968 flat angles P-C4'-P energy: -8.343 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: 8 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -146.578917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.578917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.578917 (E_RNA) where: Base-Base interactions energy: -89.698 where: short stacking energy: -49.047 Base-Backbone interact. energy: -0.090 local terms energy: -56.791402 where: bonds (distance) C4'-P energy: -11.516 bonds (distance) P-C4' energy: -13.918 flat angles C4'-P-C4' energy: -12.299 flat angles P-C4'-P energy: -8.147 tors. eta vs tors. theta energy: -10.911 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: 3, replica: 7 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -142.326256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.326256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.326256 (E_RNA) where: Base-Base interactions energy: -89.061 where: short stacking energy: -55.625 Base-Backbone interact. energy: -0.060 local terms energy: -53.204899 where: bonds (distance) C4'-P energy: -12.574 bonds (distance) P-C4' energy: -10.710 flat angles C4'-P-C4' energy: -12.656 flat angles P-C4'-P energy: -5.575 tors. eta vs tors. theta energy: -11.690 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: 326 Temperature: 1.050000 Total energy: -142.496424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.496424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.496424 (E_RNA) where: Base-Base interactions energy: -82.223 where: short stacking energy: -56.554 Base-Backbone interact. energy: -0.760 local terms energy: -59.513217 where: bonds (distance) C4'-P energy: -11.246 bonds (distance) P-C4' energy: -12.710 flat angles C4'-P-C4' energy: -11.998 flat angles P-C4'-P energy: -9.522 tors. eta vs tors. theta energy: -14.038 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: 5, replica: 3 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -127.593409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.593409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.593409 (E_RNA) where: Base-Base interactions energy: -71.923 where: short stacking energy: -42.908 Base-Backbone interact. energy: 0.156 local terms energy: -55.826058 where: bonds (distance) C4'-P energy: -14.893 bonds (distance) P-C4' energy: -12.486 flat angles C4'-P-C4' energy: -11.080 flat angles P-C4'-P energy: -7.950 tors. eta vs tors. theta energy: -9.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -97.999783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.999783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.999783 (E_RNA) where: Base-Base interactions energy: -48.678 where: short stacking energy: -48.678 Base-Backbone interact. energy: -0.035 local terms energy: -49.286449 where: bonds (distance) C4'-P energy: -11.701 bonds (distance) P-C4' energy: -11.983 flat angles C4'-P-C4' energy: -13.300 flat angles P-C4'-P energy: -8.881 tors. eta vs tors. theta energy: -3.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -90.851561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.851561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.851561 (E_RNA) where: Base-Base interactions energy: -43.445 where: short stacking energy: -43.445 Base-Backbone interact. energy: -0.016 local terms energy: -47.390636 where: bonds (distance) C4'-P energy: -8.448 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -12.237 flat angles P-C4'-P energy: 1.425 tors. eta vs tors. theta energy: -12.589 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: 1 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -81.124615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.124615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.124615 (E_RNA) where: Base-Base interactions energy: -41.630 where: short stacking energy: -25.671 Base-Backbone interact. energy: -0.044 local terms energy: -39.450411 where: bonds (distance) C4'-P energy: -11.200 bonds (distance) P-C4' energy: -11.212 flat angles C4'-P-C4' energy: -10.566 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -2.526 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: 9 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -70.236540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.236540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.236540 (E_RNA) where: Base-Base interactions energy: -30.448 where: short stacking energy: -23.329 Base-Backbone interact. energy: -0.515 local terms energy: -39.272815 where: bonds (distance) C4'-P energy: -11.702 bonds (distance) P-C4' energy: -12.371 flat angles C4'-P-C4' energy: -13.441 flat angles P-C4'-P energy: -4.194 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: 10, replica: 5 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -69.235030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.235030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.235030 (E_RNA) where: Base-Base interactions energy: -30.542 where: short stacking energy: -25.480 Base-Backbone interact. energy: -0.691 local terms energy: -38.001861 where: bonds (distance) C4'-P energy: -13.419 bonds (distance) P-C4' energy: -12.177 flat angles C4'-P-C4' energy: -10.307 flat angles P-C4'-P energy: -3.230 tors. eta vs tors. theta energy: 1.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -149.787147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.787147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.787147 (E_RNA) where: Base-Base interactions energy: -87.375 where: short stacking energy: -41.908 Base-Backbone interact. energy: -0.695 local terms energy: -61.716608 where: bonds (distance) C4'-P energy: -12.851 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -13.061 flat angles P-C4'-P energy: -8.371 tors. eta vs tors. theta energy: -11.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -145.781336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.781336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.781336 (E_RNA) where: Base-Base interactions energy: -84.133 where: short stacking energy: -51.440 Base-Backbone interact. energy: -0.029 local terms energy: -61.619262 where: bonds (distance) C4'-P energy: -12.454 bonds (distance) P-C4' energy: -12.267 flat angles C4'-P-C4' energy: -12.321 flat angles P-C4'-P energy: -10.502 tors. eta vs tors. theta energy: -14.075 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: 8 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -138.113989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.113989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.113989 (E_RNA) where: Base-Base interactions energy: -78.305 where: short stacking energy: -58.619 Base-Backbone interact. energy: -0.224 local terms energy: -59.584889 where: bonds (distance) C4'-P energy: -15.187 bonds (distance) P-C4' energy: -10.490 flat angles C4'-P-C4' energy: -12.175 flat angles P-C4'-P energy: -6.828 tors. eta vs tors. theta energy: -14.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -133.370876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.370876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.370876 (E_RNA) where: Base-Base interactions energy: -72.467 where: short stacking energy: -43.364 Base-Backbone interact. energy: -0.129 local terms energy: -60.774833 where: bonds (distance) C4'-P energy: -13.650 bonds (distance) P-C4' energy: -15.103 flat angles C4'-P-C4' energy: -14.722 flat angles P-C4'-P energy: -9.497 tors. eta vs tors. theta energy: -7.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -105.316398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.316398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.316398 (E_RNA) where: Base-Base interactions energy: -42.911 where: short stacking energy: -42.911 Base-Backbone interact. energy: -0.001 local terms energy: -62.404138 where: bonds (distance) C4'-P energy: -14.956 bonds (distance) P-C4' energy: -13.526 flat angles C4'-P-C4' energy: -14.785 flat angles P-C4'-P energy: -11.180 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: 6, replica: 10 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -92.044264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.044264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.044264 (E_RNA) where: Base-Base interactions energy: -37.399 where: short stacking energy: -29.155 Base-Backbone interact. energy: -0.100 local terms energy: -54.544951 where: bonds (distance) C4'-P energy: -12.744 bonds (distance) P-C4' energy: -13.693 flat angles C4'-P-C4' energy: -13.492 flat angles P-C4'-P energy: -7.850 tors. eta vs tors. theta energy: -6.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -96.936339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.936339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.936339 (E_RNA) where: Base-Base interactions energy: -58.195 where: short stacking energy: -45.783 Base-Backbone interact. energy: -0.174 local terms energy: -38.567272 where: bonds (distance) C4'-P energy: -7.847 bonds (distance) P-C4' energy: -7.669 flat angles C4'-P-C4' energy: -9.904 flat angles P-C4'-P energy: -9.028 tors. eta vs tors. theta energy: -4.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -83.659550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.659550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.659550 (E_RNA) where: Base-Base interactions energy: -35.475 where: short stacking energy: -28.162 Base-Backbone interact. energy: -0.064 local terms energy: -48.119886 where: bonds (distance) C4'-P energy: -12.657 bonds (distance) P-C4' energy: -13.482 flat angles C4'-P-C4' energy: -9.990 flat angles P-C4'-P energy: -6.123 tors. eta vs tors. theta energy: -5.867 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: 9, replica: 1 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -76.506446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.506446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.506446 (E_RNA) where: Base-Base interactions energy: -31.467 where: short stacking energy: -31.467 Base-Backbone interact. energy: -0.106 local terms energy: -44.933814 where: bonds (distance) C4'-P energy: -10.194 bonds (distance) P-C4' energy: -11.112 flat angles C4'-P-C4' energy: -11.727 flat angles P-C4'-P energy: -6.125 tors. eta vs tors. theta energy: -5.776 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: 10, replica: 5 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -78.450738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.450738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.450738 (E_RNA) where: Base-Base interactions energy: -32.739 where: short stacking energy: -32.739 Base-Backbone interact. energy: -0.244 local terms energy: -45.467466 where: bonds (distance) C4'-P energy: -10.315 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -8.952 flat angles P-C4'-P energy: -8.803 tors. eta vs tors. theta energy: -4.763 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: 328 Temperature: 0.900000 Total energy: -159.469108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.469108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.469108 (E_RNA) where: Base-Base interactions energy: -92.399 where: short stacking energy: -57.305 Base-Backbone interact. energy: -0.002 local terms energy: -67.068496 where: bonds (distance) C4'-P energy: -13.898 bonds (distance) P-C4' energy: -15.501 flat angles C4'-P-C4' energy: -12.380 flat angles P-C4'-P energy: -10.837 tors. eta vs tors. theta energy: -14.452 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: 4 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -156.220810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.220810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.220810 (E_RNA) where: Base-Base interactions energy: -87.481 where: short stacking energy: -55.939 Base-Backbone interact. energy: -0.038 local terms energy: -68.700958 where: bonds (distance) C4'-P energy: -13.721 bonds (distance) P-C4' energy: -16.492 flat angles C4'-P-C4' energy: -15.258 flat angles P-C4'-P energy: -9.300 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: 3, replica: 2 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -155.796774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.796774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.796774 (E_RNA) where: Base-Base interactions energy: -91.724 where: short stacking energy: -63.837 Base-Backbone interact. energy: -0.018 local terms energy: -64.054355 where: bonds (distance) C4'-P energy: -11.976 bonds (distance) P-C4' energy: -15.002 flat angles C4'-P-C4' energy: -12.168 flat angles P-C4'-P energy: -9.911 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: 8 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -142.452697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.452697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.452697 (E_RNA) where: Base-Base interactions energy: -88.742 where: short stacking energy: -54.246 Base-Backbone interact. energy: -0.000 local terms energy: -53.709977 where: bonds (distance) C4'-P energy: -11.259 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -10.797 flat angles P-C4'-P energy: -5.649 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: 5, replica: 10 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -106.064028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.064028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.064028 (E_RNA) where: Base-Base interactions energy: -52.217 where: short stacking energy: -52.217 Base-Backbone interact. energy: 0.383 local terms energy: -54.230490 where: bonds (distance) C4'-P energy: -10.356 bonds (distance) P-C4' energy: -13.054 flat angles C4'-P-C4' energy: -12.771 flat angles P-C4'-P energy: -7.589 tors. eta vs tors. theta energy: -10.460 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: 3 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -89.578823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.578823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.578823 (E_RNA) where: Base-Base interactions energy: -40.517 where: short stacking energy: -40.517 Base-Backbone interact. energy: -0.118 local terms energy: -48.943417 where: bonds (distance) C4'-P energy: -13.926 bonds (distance) P-C4' energy: -13.441 flat angles C4'-P-C4' energy: -9.488 flat angles P-C4'-P energy: -7.250 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: 7, replica: 9 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -94.906580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.906580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.906580 (E_RNA) where: Base-Base interactions energy: -40.778 where: short stacking energy: -38.533 Base-Backbone interact. energy: -0.149 local terms energy: -53.979973 where: bonds (distance) C4'-P energy: -10.704 bonds (distance) P-C4' energy: -12.980 flat angles C4'-P-C4' energy: -10.737 flat angles P-C4'-P energy: -7.711 tors. eta vs tors. theta energy: -11.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -92.200875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.200875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.200875 (E_RNA) where: Base-Base interactions energy: -48.274 where: short stacking energy: -36.066 Base-Backbone interact. energy: -0.194 local terms energy: -43.732066 where: bonds (distance) C4'-P energy: -8.410 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -10.296 flat angles P-C4'-P energy: -6.885 tors. eta vs tors. theta energy: -2.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -92.260919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.260919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.260919 (E_RNA) where: Base-Base interactions energy: -46.097 where: short stacking energy: -46.097 Base-Backbone interact. energy: -0.089 local terms energy: -46.075492 where: bonds (distance) C4'-P energy: -6.207 bonds (distance) P-C4' energy: -10.939 flat angles C4'-P-C4' energy: -12.928 flat angles P-C4'-P energy: -5.600 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: 10, replica: 1 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -69.831254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.831254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.831254 (E_RNA) where: Base-Base interactions energy: -27.752 where: short stacking energy: -27.752 Base-Backbone interact. energy: -0.221 local terms energy: -41.858712 where: bonds (distance) C4'-P energy: -10.150 bonds (distance) P-C4' energy: -9.408 flat angles C4'-P-C4' energy: -9.268 flat angles P-C4'-P energy: -11.459 tors. eta vs tors. theta energy: -1.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -162.821657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.821657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.821657 (E_RNA) where: Base-Base interactions energy: -93.383 where: short stacking energy: -61.144 Base-Backbone interact. energy: -0.134 local terms energy: -69.305078 where: bonds (distance) C4'-P energy: -15.117 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -13.686 flat angles P-C4'-P energy: -9.360 tors. eta vs tors. theta energy: -15.365 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: 2 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -149.387861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.387861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.387861 (E_RNA) where: Base-Base interactions energy: -86.094 where: short stacking energy: -59.598 Base-Backbone interact. energy: 0.683 local terms energy: -63.976341 where: bonds (distance) C4'-P energy: -14.913 bonds (distance) P-C4' energy: -14.124 flat angles C4'-P-C4' energy: -11.746 flat angles P-C4'-P energy: -11.496 tors. eta vs tors. theta energy: -11.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -153.754502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.754502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.754502 (E_RNA) where: Base-Base interactions energy: -96.185 where: short stacking energy: -67.755 Base-Backbone interact. energy: -0.029 local terms energy: -57.540814 where: bonds (distance) C4'-P energy: -10.000 bonds (distance) P-C4' energy: -14.642 flat angles C4'-P-C4' energy: -12.010 flat angles P-C4'-P energy: -7.935 tors. eta vs tors. theta energy: -12.954 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: 8 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -129.156392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.156392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.156392 (E_RNA) where: Base-Base interactions energy: -73.839 where: short stacking energy: -51.544 Base-Backbone interact. energy: -0.695 local terms energy: -54.622978 where: bonds (distance) C4'-P energy: -12.529 bonds (distance) P-C4' energy: -11.701 flat angles C4'-P-C4' energy: -12.273 flat angles P-C4'-P energy: -7.437 tors. eta vs tors. theta energy: -10.683 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: 10 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -102.227273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.227273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.227273 (E_RNA) where: Base-Base interactions energy: -43.937 where: short stacking energy: -43.937 Base-Backbone interact. energy: -0.038 local terms energy: -58.252092 where: bonds (distance) C4'-P energy: -12.939 bonds (distance) P-C4' energy: -11.509 flat angles C4'-P-C4' energy: -12.942 flat angles P-C4'-P energy: -9.203 tors. eta vs tors. theta energy: -11.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -94.686445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.686445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.686445 (E_RNA) where: Base-Base interactions energy: -49.038 where: short stacking energy: -41.858 Base-Backbone interact. energy: -0.071 local terms energy: -45.577833 where: bonds (distance) C4'-P energy: -5.012 bonds (distance) P-C4' energy: -13.265 flat angles C4'-P-C4' energy: -11.302 flat angles P-C4'-P energy: -7.817 tors. eta vs tors. theta energy: -8.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -93.165571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.165571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.165571 (E_RNA) where: Base-Base interactions energy: -48.056 where: short stacking energy: -27.342 Base-Backbone interact. energy: -0.014 local terms energy: -45.094786 where: bonds (distance) C4'-P energy: -9.291 bonds (distance) P-C4' energy: -13.677 flat angles C4'-P-C4' energy: -13.122 flat angles P-C4'-P energy: -9.957 tors. eta vs tors. theta energy: 0.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -90.037669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.037669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.037669 (E_RNA) where: Base-Base interactions energy: -43.427 where: short stacking energy: -43.427 Base-Backbone interact. energy: -0.014 local terms energy: -46.596569 where: bonds (distance) C4'-P energy: -10.311 bonds (distance) P-C4' energy: -12.390 flat angles C4'-P-C4' energy: -12.107 flat angles P-C4'-P energy: -2.672 tors. eta vs tors. theta energy: -9.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -83.444946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.444946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.444946 (E_RNA) where: Base-Base interactions energy: -40.536 where: short stacking energy: -39.442 Base-Backbone interact. energy: -0.046 local terms energy: -42.862298 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -13.508 flat angles C4'-P-C4' energy: -8.534 flat angles P-C4'-P energy: -8.583 tors. eta vs tors. theta energy: -8.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -77.859019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.859019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.859019 (E_RNA) where: Base-Base interactions energy: -31.190 where: short stacking energy: -28.709 Base-Backbone interact. energy: -0.844 local terms energy: -45.825066 where: bonds (distance) C4'-P energy: -9.436 bonds (distance) P-C4' energy: -11.728 flat angles C4'-P-C4' energy: -12.968 flat angles P-C4'-P energy: -9.206 tors. eta vs tors. theta energy: -2.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -157.967289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.967289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.967289 (E_RNA) where: Base-Base interactions energy: -96.165 where: short stacking energy: -66.509 Base-Backbone interact. energy: -0.001 local terms energy: -61.801376 where: bonds (distance) C4'-P energy: -12.604 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -14.481 flat angles P-C4'-P energy: -7.512 tors. eta vs tors. theta energy: -13.257 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: 2, replica: 2 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -154.533436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.533436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.533436 (E_RNA) where: Base-Base interactions energy: -92.744 where: short stacking energy: -51.253 Base-Backbone interact. energy: -0.037 local terms energy: -61.752805 where: bonds (distance) C4'-P energy: -13.813 bonds (distance) P-C4' energy: -11.121 flat angles C4'-P-C4' energy: -13.467 flat angles P-C4'-P energy: -10.388 tors. eta vs tors. theta energy: -12.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -140.646132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.646132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.646132 (E_RNA) where: Base-Base interactions energy: -87.287 where: short stacking energy: -53.856 Base-Backbone interact. energy: -0.506 local terms energy: -52.852575 where: bonds (distance) C4'-P energy: -11.129 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -12.319 flat angles P-C4'-P energy: -7.169 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: 4, replica: 4 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -150.135523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.135523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.135523 (E_RNA) where: Base-Base interactions energy: -95.153 where: short stacking energy: -51.710 Base-Backbone interact. energy: -0.207 local terms energy: -54.775529 where: bonds (distance) C4'-P energy: -12.753 bonds (distance) P-C4' energy: -8.643 flat angles C4'-P-C4' energy: -13.521 flat angles P-C4'-P energy: -7.297 tors. eta vs tors. theta energy: -12.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -97.138786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.138786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.138786 (E_RNA) where: Base-Base interactions energy: -44.999 where: short stacking energy: -30.769 Base-Backbone interact. energy: -0.014 local terms energy: -52.125296 where: bonds (distance) C4'-P energy: -9.531 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -11.557 flat angles P-C4'-P energy: -6.978 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: 6, replica: 10 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -94.628234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.628234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.628234 (E_RNA) where: Base-Base interactions energy: -48.430 where: short stacking energy: -38.640 Base-Backbone interact. energy: -0.658 local terms energy: -45.539655 where: bonds (distance) C4'-P energy: -9.589 bonds (distance) P-C4' energy: -11.040 flat angles C4'-P-C4' energy: -10.679 flat angles P-C4'-P energy: -7.474 tors. eta vs tors. theta energy: -6.758 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: 5 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -94.963563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.963563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.963563 (E_RNA) where: Base-Base interactions energy: -48.227 where: short stacking energy: -36.886 Base-Backbone interact. energy: -0.020 local terms energy: -46.717243 where: bonds (distance) C4'-P energy: -11.908 bonds (distance) P-C4' energy: -11.731 flat angles C4'-P-C4' energy: -10.896 flat angles P-C4'-P energy: -6.102 tors. eta vs tors. theta energy: -6.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -76.775767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.775767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.775767 (E_RNA) where: Base-Base interactions energy: -31.489 where: short stacking energy: -28.238 Base-Backbone interact. energy: -0.102 local terms energy: -45.184910 where: bonds (distance) C4'-P energy: -12.765 bonds (distance) P-C4' energy: -8.827 flat angles C4'-P-C4' energy: -8.560 flat angles P-C4'-P energy: -8.761 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: 9, replica: 1 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -84.714839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.714839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.714839 (E_RNA) where: Base-Base interactions energy: -36.998 where: short stacking energy: -35.135 Base-Backbone interact. energy: -0.015 local terms energy: -47.701634 where: bonds (distance) C4'-P energy: -13.245 bonds (distance) P-C4' energy: -9.353 flat angles C4'-P-C4' energy: -14.214 flat angles P-C4'-P energy: -5.984 tors. eta vs tors. theta energy: -4.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -69.576329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.576329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.576329 (E_RNA) where: Base-Base interactions energy: -28.963 where: short stacking energy: -22.286 Base-Backbone interact. energy: -0.247 local terms energy: -40.365861 where: bonds (distance) C4'-P energy: -13.125 bonds (distance) P-C4' energy: -10.173 flat angles C4'-P-C4' energy: -12.322 flat angles P-C4'-P energy: -9.143 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: 1, replica: 7 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -158.506378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.506378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.506378 (E_RNA) where: Base-Base interactions energy: -99.974 where: short stacking energy: -67.868 Base-Backbone interact. energy: 1.636 local terms energy: -60.168338 where: bonds (distance) C4'-P energy: -11.559 bonds (distance) P-C4' energy: -13.204 flat angles C4'-P-C4' energy: -13.443 flat angles P-C4'-P energy: -8.012 tors. eta vs tors. theta energy: -13.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -145.918218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.918218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.918218 (E_RNA) where: Base-Base interactions energy: -83.221 where: short stacking energy: -57.392 Base-Backbone interact. energy: -0.070 local terms energy: -62.627174 where: bonds (distance) C4'-P energy: -12.564 bonds (distance) P-C4' energy: -14.081 flat angles C4'-P-C4' energy: -13.381 flat angles P-C4'-P energy: -10.308 tors. eta vs tors. theta energy: -12.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -153.594237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.594237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.594237 (E_RNA) where: Base-Base interactions energy: -90.364 where: short stacking energy: -53.651 Base-Backbone interact. energy: -0.033 local terms energy: -63.197016 where: bonds (distance) C4'-P energy: -10.690 bonds (distance) P-C4' energy: -15.415 flat angles C4'-P-C4' energy: -13.722 flat angles P-C4'-P energy: -9.672 tors. eta vs tors. theta energy: -13.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -149.184832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.184832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.184832 (E_RNA) where: Base-Base interactions energy: -89.921 where: short stacking energy: -54.296 Base-Backbone interact. energy: -0.435 local terms energy: -58.829274 where: bonds (distance) C4'-P energy: -14.264 bonds (distance) P-C4' energy: -13.913 flat angles C4'-P-C4' energy: -12.469 flat angles P-C4'-P energy: -8.973 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: 5, replica: 9 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -115.196220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.196220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.196220 (E_RNA) where: Base-Base interactions energy: -56.973 where: short stacking energy: -39.147 Base-Backbone interact. energy: -0.569 local terms energy: -57.654451 where: bonds (distance) C4'-P energy: -15.278 bonds (distance) P-C4' energy: -15.562 flat angles C4'-P-C4' energy: -10.369 flat angles P-C4'-P energy: -11.316 tors. eta vs tors. theta energy: -5.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -99.034504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.034504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.034504 (E_RNA) where: Base-Base interactions energy: -47.380 where: short stacking energy: -35.593 Base-Backbone interact. energy: -0.148 local terms energy: -51.506654 where: bonds (distance) C4'-P energy: -11.640 bonds (distance) P-C4' energy: -10.854 flat angles C4'-P-C4' energy: -14.739 flat angles P-C4'-P energy: -9.297 tors. eta vs tors. theta energy: -4.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -92.631468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.631468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.631468 (E_RNA) where: Base-Base interactions energy: -36.911 where: short stacking energy: -36.911 Base-Backbone interact. energy: -0.113 local terms energy: -55.607866 where: bonds (distance) C4'-P energy: -13.258 bonds (distance) P-C4' energy: -11.961 flat angles C4'-P-C4' energy: -13.278 flat angles P-C4'-P energy: -10.557 tors. eta vs tors. theta energy: -6.554 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: 8, replica: 3 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -90.776628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.776628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.776628 (E_RNA) where: Base-Base interactions energy: -41.503 where: short stacking energy: -39.397 Base-Backbone interact. energy: 1.262 local terms energy: -50.535952 where: bonds (distance) C4'-P energy: -10.231 bonds (distance) P-C4' energy: -13.448 flat angles C4'-P-C4' energy: -12.436 flat angles P-C4'-P energy: -7.609 tors. eta vs tors. theta energy: -6.812 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: 1 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -77.029559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.029559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.029559 (E_RNA) where: Base-Base interactions energy: -36.147 where: short stacking energy: -36.147 Base-Backbone interact. energy: -0.168 local terms energy: -40.714649 where: bonds (distance) C4'-P energy: -4.414 bonds (distance) P-C4' energy: -12.204 flat angles C4'-P-C4' energy: -13.618 flat angles P-C4'-P energy: -6.726 tors. eta vs tors. theta energy: -3.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -81.971716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.971716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.971716 (E_RNA) where: Base-Base interactions energy: -34.264 where: short stacking energy: -22.663 Base-Backbone interact. energy: -0.245 local terms energy: -47.462537 where: bonds (distance) C4'-P energy: -13.005 bonds (distance) P-C4' energy: -14.691 flat angles C4'-P-C4' energy: -12.684 flat angles P-C4'-P energy: -7.307 tors. eta vs tors. theta energy: 0.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -167.468420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.468420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.468420 (E_RNA) where: Base-Base interactions energy: -101.040 where: short stacking energy: -67.660 Base-Backbone interact. energy: -0.001 local terms energy: -66.427493 where: bonds (distance) C4'-P energy: -11.334 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -13.804 flat angles P-C4'-P energy: -10.033 tors. eta vs tors. theta energy: -16.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -145.080952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.080952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.080952 (E_RNA) where: Base-Base interactions energy: -87.386 where: short stacking energy: -55.160 Base-Backbone interact. energy: -0.005 local terms energy: -57.690135 where: bonds (distance) C4'-P energy: -12.070 bonds (distance) P-C4' energy: -15.977 flat angles C4'-P-C4' energy: -12.500 flat angles P-C4'-P energy: -6.231 tors. eta vs tors. theta energy: -10.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -144.307787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.307787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.307787 (E_RNA) where: Base-Base interactions energy: -85.914 where: short stacking energy: -58.275 Base-Backbone interact. energy: -0.068 local terms energy: -58.326182 where: bonds (distance) C4'-P energy: -8.812 bonds (distance) P-C4' energy: -13.352 flat angles C4'-P-C4' energy: -15.871 flat angles P-C4'-P energy: -8.709 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: 2 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -151.204976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.204976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.204976 (E_RNA) where: Base-Base interactions energy: -95.520 where: short stacking energy: -63.851 Base-Backbone interact. energy: 0.162 local terms energy: -55.847664 where: bonds (distance) C4'-P energy: -12.434 bonds (distance) P-C4' energy: -8.294 flat angles C4'-P-C4' energy: -12.443 flat angles P-C4'-P energy: -6.525 tors. eta vs tors. theta energy: -16.153 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: 5, replica: 10 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -104.645139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.645139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.645139 (E_RNA) where: Base-Base interactions energy: -46.407 where: short stacking energy: -46.407 Base-Backbone interact. energy: -0.004 local terms energy: -58.234091 where: bonds (distance) C4'-P energy: -11.970 bonds (distance) P-C4' energy: -10.562 flat angles C4'-P-C4' energy: -15.421 flat angles P-C4'-P energy: -10.887 tors. eta vs tors. theta energy: -9.393 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: 9 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -103.295671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.295671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.295671 (E_RNA) where: Base-Base interactions energy: -51.595 where: short stacking energy: -47.770 Base-Backbone interact. energy: -0.559 local terms energy: -51.141272 where: bonds (distance) C4'-P energy: -11.117 bonds (distance) P-C4' energy: -10.365 flat angles C4'-P-C4' energy: -12.019 flat angles P-C4'-P energy: -6.085 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: 3 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -87.581015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.581015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.581015 (E_RNA) where: Base-Base interactions energy: -36.755 where: short stacking energy: -33.062 Base-Backbone interact. energy: -0.143 local terms energy: -50.682986 where: bonds (distance) C4'-P energy: -14.628 bonds (distance) P-C4' energy: -9.534 flat angles C4'-P-C4' energy: -14.110 flat angles P-C4'-P energy: -5.984 tors. eta vs tors. theta energy: -6.428 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: 5 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -93.238950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.238950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.238950 (E_RNA) where: Base-Base interactions energy: -40.537 where: short stacking energy: -38.675 Base-Backbone interact. energy: -0.008 local terms energy: -52.693537 where: bonds (distance) C4'-P energy: -9.842 bonds (distance) P-C4' energy: -9.808 flat angles C4'-P-C4' energy: -15.275 flat angles P-C4'-P energy: -9.545 tors. eta vs tors. theta energy: -8.223 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: 6 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -81.592167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.592167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.592167 (E_RNA) where: Base-Base interactions energy: -32.010 where: short stacking energy: -26.188 Base-Backbone interact. energy: -0.008 local terms energy: -49.574065 where: bonds (distance) C4'-P energy: -9.867 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -12.848 flat angles P-C4'-P energy: -8.277 tors. eta vs tors. theta energy: -3.529 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: 1 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -76.004115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.004115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.004115 (E_RNA) where: Base-Base interactions energy: -32.320 where: short stacking energy: -32.320 Base-Backbone interact. energy: -0.125 local terms energy: -43.558902 where: bonds (distance) C4'-P energy: -10.215 bonds (distance) P-C4' energy: -14.063 flat angles C4'-P-C4' energy: -12.420 flat angles P-C4'-P energy: -5.282 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: 7 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -167.705017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.705017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.705017 (E_RNA) where: Base-Base interactions energy: -100.623 where: short stacking energy: -64.826 Base-Backbone interact. energy: -0.007 local terms energy: -67.074989 where: bonds (distance) C4'-P energy: -13.267 bonds (distance) P-C4' energy: -13.891 flat angles C4'-P-C4' energy: -13.808 flat angles P-C4'-P energy: -11.127 tors. eta vs tors. theta energy: -14.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -144.298860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.298860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.298860 (E_RNA) where: Base-Base interactions energy: -86.393 where: short stacking energy: -51.677 Base-Backbone interact. energy: -0.051 local terms energy: -57.854813 where: bonds (distance) C4'-P energy: -13.411 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -13.741 flat angles P-C4'-P energy: -7.682 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: 3, replica: 4 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -136.465727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.465727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.465727 (E_RNA) where: Base-Base interactions energy: -80.636 where: short stacking energy: -44.533 Base-Backbone interact. energy: -0.006 local terms energy: -55.823790 where: bonds (distance) C4'-P energy: -11.460 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -11.792 flat angles P-C4'-P energy: -10.003 tors. eta vs tors. theta energy: -8.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -132.353879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.353879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.353879 (E_RNA) where: Base-Base interactions energy: -80.697 where: short stacking energy: -51.429 Base-Backbone interact. energy: -0.059 local terms energy: -51.597820 where: bonds (distance) C4'-P energy: -10.542 bonds (distance) P-C4' energy: -10.036 flat angles C4'-P-C4' energy: -11.513 flat angles P-C4'-P energy: -8.701 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: 5, replica: 2 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -128.438181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.438181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.438181 (E_RNA) where: Base-Base interactions energy: -76.212 where: short stacking energy: -41.114 Base-Backbone interact. energy: -0.305 local terms energy: -51.920991 where: bonds (distance) C4'-P energy: -11.528 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -10.259 flat angles P-C4'-P energy: -7.561 tors. eta vs tors. theta energy: -6.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -89.921220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.921220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.921220 (E_RNA) where: Base-Base interactions energy: -44.457 where: short stacking energy: -42.985 Base-Backbone interact. energy: -0.219 local terms energy: -45.244950 where: bonds (distance) C4'-P energy: -13.738 bonds (distance) P-C4' energy: -10.624 flat angles C4'-P-C4' energy: -14.117 flat angles P-C4'-P energy: -6.831 tors. eta vs tors. theta energy: 0.065 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: 9 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -84.844974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.844974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.844974 (E_RNA) where: Base-Base interactions energy: -36.598 where: short stacking energy: -34.657 Base-Backbone interact. energy: -0.042 local terms energy: -48.205149 where: bonds (distance) C4'-P energy: -12.094 bonds (distance) P-C4' energy: -13.482 flat angles C4'-P-C4' energy: -9.619 flat angles P-C4'-P energy: -7.718 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: 8, replica: 6 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -81.672009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.672009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.672009 (E_RNA) where: Base-Base interactions energy: -31.748 where: short stacking energy: -31.748 Base-Backbone interact. energy: -0.069 local terms energy: -49.854907 where: bonds (distance) C4'-P energy: -13.145 bonds (distance) P-C4' energy: -13.247 flat angles C4'-P-C4' energy: -12.068 flat angles P-C4'-P energy: -10.637 tors. eta vs tors. theta energy: -0.757 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: 9, replica: 5 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -78.065951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.065951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.065951 (E_RNA) where: Base-Base interactions energy: -34.073 where: short stacking energy: -34.073 Base-Backbone interact. energy: -0.166 local terms energy: -43.827741 where: bonds (distance) C4'-P energy: -9.545 bonds (distance) P-C4' energy: -11.627 flat angles C4'-P-C4' energy: -13.630 flat angles P-C4'-P energy: -6.082 tors. eta vs tors. theta energy: -2.944 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: 333 Temperature: 1.350000 Total energy: -76.563218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.563218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.563218 (E_RNA) where: Base-Base interactions energy: -30.680 where: short stacking energy: -30.680 Base-Backbone interact. energy: -0.044 local terms energy: -45.839709 where: bonds (distance) C4'-P energy: -13.270 bonds (distance) P-C4' energy: -12.830 flat angles C4'-P-C4' energy: -12.081 flat angles P-C4'-P energy: -5.015 tors. eta vs tors. theta energy: -2.643 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: 1, replica: 7 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -157.505916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.505916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.505916 (E_RNA) where: Base-Base interactions energy: -94.417 where: short stacking energy: -64.541 Base-Backbone interact. energy: -0.016 local terms energy: -63.072200 where: bonds (distance) C4'-P energy: -13.605 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -11.270 flat angles P-C4'-P energy: -7.902 tors. eta vs tors. theta energy: -15.667 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: 8 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -152.019759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.019759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.019759 (E_RNA) where: Base-Base interactions energy: -96.329 where: short stacking energy: -59.790 Base-Backbone interact. energy: -1.338 local terms energy: -54.352751 where: bonds (distance) C4'-P energy: -12.508 bonds (distance) P-C4' energy: -11.700 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -9.471 tors. eta vs tors. theta energy: -13.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -137.747546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.747546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.747546 (E_RNA) where: Base-Base interactions energy: -85.231 where: short stacking energy: -56.421 Base-Backbone interact. energy: -0.019 local terms energy: -52.497222 where: bonds (distance) C4'-P energy: -11.926 bonds (distance) P-C4' energy: -11.219 flat angles C4'-P-C4' energy: -12.111 flat angles P-C4'-P energy: -4.131 tors. eta vs tors. theta energy: -13.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -138.652693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.652693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.652693 (E_RNA) where: Base-Base interactions energy: -87.031 where: short stacking energy: -59.904 Base-Backbone interact. energy: -0.076 local terms energy: -51.545151 where: bonds (distance) C4'-P energy: -8.700 bonds (distance) P-C4' energy: -13.262 flat angles C4'-P-C4' energy: -12.328 flat angles P-C4'-P energy: -6.588 tors. eta vs tors. theta energy: -10.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -90.482453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.482453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.482453 (E_RNA) where: Base-Base interactions energy: -37.300 where: short stacking energy: -37.300 Base-Backbone interact. energy: -0.121 local terms energy: -53.061438 where: bonds (distance) C4'-P energy: -11.644 bonds (distance) P-C4' energy: -15.780 flat angles C4'-P-C4' energy: -11.475 flat angles P-C4'-P energy: -8.609 tors. eta vs tors. theta energy: -5.553 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: 2 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -133.987769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.987769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.987769 (E_RNA) where: Base-Base interactions energy: -80.412 where: short stacking energy: -43.362 Base-Backbone interact. energy: 0.029 local terms energy: -53.604385 where: bonds (distance) C4'-P energy: -8.476 bonds (distance) P-C4' energy: -14.532 flat angles C4'-P-C4' energy: -12.023 flat angles P-C4'-P energy: -8.771 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: 7, replica: 6 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -107.459497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.459497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.459497 (E_RNA) where: Base-Base interactions energy: -51.655 where: short stacking energy: -44.806 Base-Backbone interact. energy: -0.319 local terms energy: -55.485758 where: bonds (distance) C4'-P energy: -8.157 bonds (distance) P-C4' energy: -11.753 flat angles C4'-P-C4' energy: -14.421 flat angles P-C4'-P energy: -11.206 tors. eta vs tors. theta energy: -9.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -83.184015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.184015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.184015 (E_RNA) where: Base-Base interactions energy: -32.331 where: short stacking energy: -30.822 Base-Backbone interact. energy: -0.875 local terms energy: -49.978611 where: bonds (distance) C4'-P energy: -12.210 bonds (distance) P-C4' energy: -14.175 flat angles C4'-P-C4' energy: -10.629 flat angles P-C4'-P energy: -9.663 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: 9, replica: 1 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -79.345660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.345660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.345660 (E_RNA) where: Base-Base interactions energy: -36.431 where: short stacking energy: -36.431 Base-Backbone interact. energy: -0.002 local terms energy: -42.913036 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -8.439 flat angles C4'-P-C4' energy: -8.981 flat angles P-C4'-P energy: -5.158 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: 10, replica: 5 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -75.780501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.780501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.780501 (E_RNA) where: Base-Base interactions energy: -33.878 where: short stacking energy: -33.878 Base-Backbone interact. energy: -0.049 local terms energy: -41.853492 where: bonds (distance) C4'-P energy: -12.737 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -13.126 flat angles P-C4'-P energy: -2.199 tors. eta vs tors. theta energy: -6.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -159.592112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.592112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.592112 (E_RNA) where: Base-Base interactions energy: -92.126 where: short stacking energy: -53.206 Base-Backbone interact. energy: -0.177 local terms energy: -67.289167 where: bonds (distance) C4'-P energy: -12.985 bonds (distance) P-C4' energy: -13.363 flat angles C4'-P-C4' energy: -14.463 flat angles P-C4'-P energy: -11.910 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: 2, replica: 8 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -152.817581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.817581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.817581 (E_RNA) where: Base-Base interactions energy: -93.145 where: short stacking energy: -58.286 Base-Backbone interact. energy: 1.528 local terms energy: -61.201454 where: bonds (distance) C4'-P energy: -11.798 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -12.411 flat angles P-C4'-P energy: -10.389 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: 3, replica: 10 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -141.575497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.575497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.575497 (E_RNA) where: Base-Base interactions energy: -84.953 where: short stacking energy: -58.571 Base-Backbone interact. energy: -0.018 local terms energy: -56.603769 where: bonds (distance) C4'-P energy: -12.212 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -12.938 flat angles P-C4'-P energy: -2.198 tors. eta vs tors. theta energy: -15.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -134.445972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.445972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.445972 (E_RNA) where: Base-Base interactions energy: -80.783 where: short stacking energy: -51.805 Base-Backbone interact. energy: -0.004 local terms energy: -53.659068 where: bonds (distance) C4'-P energy: -10.738 bonds (distance) P-C4' energy: -13.188 flat angles C4'-P-C4' energy: -13.057 flat angles P-C4'-P energy: -3.675 tors. eta vs tors. theta energy: -13.001 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: 3 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -93.369990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.369990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.369990 (E_RNA) where: Base-Base interactions energy: -41.481 where: short stacking energy: -40.843 Base-Backbone interact. energy: -0.189 local terms energy: -51.699577 where: bonds (distance) C4'-P energy: -11.262 bonds (distance) P-C4' energy: -13.058 flat angles C4'-P-C4' energy: -8.589 flat angles P-C4'-P energy: -11.273 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: 2 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -131.786922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.786922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.786922 (E_RNA) where: Base-Base interactions energy: -77.819 where: short stacking energy: -50.576 Base-Backbone interact. energy: -0.031 local terms energy: -53.936713 where: bonds (distance) C4'-P energy: -12.575 bonds (distance) P-C4' energy: -9.983 flat angles C4'-P-C4' energy: -11.099 flat angles P-C4'-P energy: -10.063 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: 7, replica: 6 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -87.877369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.877369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.877369 (E_RNA) where: Base-Base interactions energy: -39.159 where: short stacking energy: -39.159 Base-Backbone interact. energy: -0.047 local terms energy: -48.671252 where: bonds (distance) C4'-P energy: -12.480 bonds (distance) P-C4' energy: -11.728 flat angles C4'-P-C4' energy: -8.894 flat angles P-C4'-P energy: -9.990 tors. eta vs tors. theta energy: -5.580 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: 9 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -82.794621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.794621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.794621 (E_RNA) where: Base-Base interactions energy: -38.137 where: short stacking energy: -35.504 Base-Backbone interact. energy: -0.067 local terms energy: -44.590133 where: bonds (distance) C4'-P energy: -11.412 bonds (distance) P-C4' energy: -13.336 flat angles C4'-P-C4' energy: -11.700 flat angles P-C4'-P energy: -3.194 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: 9, replica: 1 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -85.655888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.655888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.655888 (E_RNA) where: Base-Base interactions energy: -35.430 where: short stacking energy: -34.892 Base-Backbone interact. energy: -0.155 local terms energy: -50.071681 where: bonds (distance) C4'-P energy: -9.445 bonds (distance) P-C4' energy: -10.792 flat angles C4'-P-C4' energy: -12.315 flat angles P-C4'-P energy: -10.138 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: 10, replica: 5 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -75.790794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.790794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.790794 (E_RNA) where: Base-Base interactions energy: -27.292 where: short stacking energy: -25.464 Base-Backbone interact. energy: -0.080 local terms energy: -48.418281 where: bonds (distance) C4'-P energy: -12.620 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -12.265 flat angles P-C4'-P energy: -1.960 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: 1, replica: 7 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -159.770472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.770472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.770472 (E_RNA) where: Base-Base interactions energy: -96.669 where: short stacking energy: -66.943 Base-Backbone interact. energy: -0.465 local terms energy: -62.636039 where: bonds (distance) C4'-P energy: -13.854 bonds (distance) P-C4' energy: -12.159 flat angles C4'-P-C4' energy: -12.767 flat angles P-C4'-P energy: -9.714 tors. eta vs tors. theta energy: -14.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -140.433758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.433758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.433758 (E_RNA) where: Base-Base interactions energy: -86.212 where: short stacking energy: -55.171 Base-Backbone interact. energy: -0.013 local terms energy: -54.208802 where: bonds (distance) C4'-P energy: -13.953 bonds (distance) P-C4' energy: -10.816 flat angles C4'-P-C4' energy: -11.932 flat angles P-C4'-P energy: -7.885 tors. eta vs tors. theta energy: -9.623 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: 10 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -134.258023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.258023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.258023 (E_RNA) where: Base-Base interactions energy: -76.187 where: short stacking energy: -49.144 Base-Backbone interact. energy: 1.645 local terms energy: -59.715377 where: bonds (distance) C4'-P energy: -12.907 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -14.274 flat angles P-C4'-P energy: -7.818 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: 4, replica: 4 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -141.057630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.057630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.057630 (E_RNA) where: Base-Base interactions energy: -79.365 where: short stacking energy: -48.469 Base-Backbone interact. energy: -0.026 local terms energy: -61.665733 where: bonds (distance) C4'-P energy: -15.225 bonds (distance) P-C4' energy: -14.877 flat angles C4'-P-C4' energy: -13.779 flat angles P-C4'-P energy: -7.915 tors. eta vs tors. theta energy: -9.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -125.470505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.470505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.470505 (E_RNA) where: Base-Base interactions energy: -74.528 where: short stacking energy: -45.068 Base-Backbone interact. energy: 2.565 local terms energy: -53.507403 where: bonds (distance) C4'-P energy: -10.232 bonds (distance) P-C4' energy: -10.545 flat angles C4'-P-C4' energy: -12.708 flat angles P-C4'-P energy: -9.933 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: 6, replica: 3 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -92.630183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.630183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.630183 (E_RNA) where: Base-Base interactions energy: -42.995 where: short stacking energy: -42.995 Base-Backbone interact. energy: -0.134 local terms energy: -49.501527 where: bonds (distance) C4'-P energy: -12.020 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -12.519 flat angles P-C4'-P energy: -6.768 tors. eta vs tors. theta energy: -5.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -83.712715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.712715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.712715 (E_RNA) where: Base-Base interactions energy: -36.578 where: short stacking energy: -31.243 Base-Backbone interact. energy: -0.221 local terms energy: -46.914275 where: bonds (distance) C4'-P energy: -5.822 bonds (distance) P-C4' energy: -15.415 flat angles C4'-P-C4' energy: -12.417 flat angles P-C4'-P energy: -8.622 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: 8, replica: 9 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -78.060558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.060558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.060558 (E_RNA) where: Base-Base interactions energy: -32.505 where: short stacking energy: -29.683 Base-Backbone interact. energy: -0.118 local terms energy: -45.437206 where: bonds (distance) C4'-P energy: -9.142 bonds (distance) P-C4' energy: -14.614 flat angles C4'-P-C4' energy: -10.438 flat angles P-C4'-P energy: -6.582 tors. eta vs tors. theta energy: -4.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -86.347464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.347464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.347464 (E_RNA) where: Base-Base interactions energy: -35.421 where: short stacking energy: -35.421 Base-Backbone interact. energy: -0.203 local terms energy: -50.723243 where: bonds (distance) C4'-P energy: -10.016 bonds (distance) P-C4' energy: -10.594 flat angles C4'-P-C4' energy: -13.908 flat angles P-C4'-P energy: -11.407 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: 10, replica: 1 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -76.449113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.449113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.449113 (E_RNA) where: Base-Base interactions energy: -41.241 where: short stacking energy: -37.696 Base-Backbone interact. energy: -0.128 local terms energy: -35.079968 where: bonds (distance) C4'-P energy: -13.809 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -7.068 tors. eta vs tors. theta energy: -0.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -152.756469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.756469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.756469 (E_RNA) where: Base-Base interactions energy: -89.338 where: short stacking energy: -59.532 Base-Backbone interact. energy: -0.004 local terms energy: -63.414520 where: bonds (distance) C4'-P energy: -13.232 bonds (distance) P-C4' energy: -13.533 flat angles C4'-P-C4' energy: -13.329 flat angles P-C4'-P energy: -11.369 tors. eta vs tors. theta energy: -11.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -137.907519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.907519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.907519 (E_RNA) where: Base-Base interactions energy: -85.446 where: short stacking energy: -55.006 Base-Backbone interact. energy: -0.671 local terms energy: -51.790634 where: bonds (distance) C4'-P energy: -9.540 bonds (distance) P-C4' energy: -14.798 flat angles C4'-P-C4' energy: -15.077 flat angles P-C4'-P energy: -7.745 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: 3, replica: 8 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -134.137212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.137212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.137212 (E_RNA) where: Base-Base interactions energy: -77.705 where: short stacking energy: -48.383 Base-Backbone interact. energy: -0.158 local terms energy: -56.274867 where: bonds (distance) C4'-P energy: -13.345 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -8.459 flat angles P-C4'-P energy: -10.437 tors. eta vs tors. theta energy: -8.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -141.705195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.705195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.705195 (E_RNA) where: Base-Base interactions energy: -89.116 where: short stacking energy: -64.031 Base-Backbone interact. energy: -0.002 local terms energy: -52.587769 where: bonds (distance) C4'-P energy: -12.521 bonds (distance) P-C4' energy: -12.346 flat angles C4'-P-C4' energy: -11.141 flat angles P-C4'-P energy: -7.906 tors. eta vs tors. theta energy: -8.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -136.947347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.947347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.947347 (E_RNA) where: Base-Base interactions energy: -77.645 where: short stacking energy: -53.386 Base-Backbone interact. energy: -0.022 local terms energy: -59.280246 where: bonds (distance) C4'-P energy: -13.399 bonds (distance) P-C4' energy: -13.725 flat angles C4'-P-C4' energy: -13.141 flat angles P-C4'-P energy: -9.194 tors. eta vs tors. theta energy: -9.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -94.264876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.264876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.264876 (E_RNA) where: Base-Base interactions energy: -46.087 where: short stacking energy: -43.610 Base-Backbone interact. energy: -0.226 local terms energy: -47.952683 where: bonds (distance) C4'-P energy: -15.178 bonds (distance) P-C4' energy: -11.302 flat angles C4'-P-C4' energy: -8.826 flat angles P-C4'-P energy: -8.842 tors. eta vs tors. theta energy: -3.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -82.837517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.837517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.837517 (E_RNA) where: Base-Base interactions energy: -32.165 where: short stacking energy: -26.684 Base-Backbone interact. energy: -0.134 local terms energy: -50.538636 where: bonds (distance) C4'-P energy: -13.988 bonds (distance) P-C4' energy: -14.854 flat angles C4'-P-C4' energy: -10.028 flat angles P-C4'-P energy: -6.408 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: 8, replica: 5 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -90.900743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.900743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.900743 (E_RNA) where: Base-Base interactions energy: -45.081 where: short stacking energy: -45.081 Base-Backbone interact. energy: -0.122 local terms energy: -45.697732 where: bonds (distance) C4'-P energy: -14.479 bonds (distance) P-C4' energy: -5.713 flat angles C4'-P-C4' energy: -9.447 flat angles P-C4'-P energy: -6.091 tors. eta vs tors. theta energy: -9.967 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: 9, replica: 9 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -77.205241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.205241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.205241 (E_RNA) where: Base-Base interactions energy: -32.657 where: short stacking energy: -29.446 Base-Backbone interact. energy: -0.199 local terms energy: -44.349041 where: bonds (distance) C4'-P energy: -11.944 bonds (distance) P-C4' energy: -12.796 flat angles C4'-P-C4' energy: -8.575 flat angles P-C4'-P energy: -8.103 tors. eta vs tors. theta energy: -2.931 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: 1 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -71.441561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.441561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.441561 (E_RNA) where: Base-Base interactions energy: -31.568 where: short stacking energy: -31.568 Base-Backbone interact. energy: 1.293 local terms energy: -41.167149 where: bonds (distance) C4'-P energy: -9.726 bonds (distance) P-C4' energy: -12.554 flat angles C4'-P-C4' energy: -11.982 flat angles P-C4'-P energy: -6.644 tors. eta vs tors. theta energy: -0.261 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: 7 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -150.047951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.047951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.047951 (E_RNA) where: Base-Base interactions energy: -94.590 where: short stacking energy: -63.456 Base-Backbone interact. energy: -0.081 local terms energy: -55.376615 where: bonds (distance) C4'-P energy: -11.523 bonds (distance) P-C4' energy: -10.551 flat angles C4'-P-C4' energy: -14.641 flat angles P-C4'-P energy: -5.791 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: 2, replica: 10 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -141.137189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.137189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.137189 (E_RNA) where: Base-Base interactions energy: -82.332 where: short stacking energy: -47.520 Base-Backbone interact. energy: -0.015 local terms energy: -58.789977 where: bonds (distance) C4'-P energy: -12.301 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -11.341 flat angles P-C4'-P energy: -7.213 tors. eta vs tors. theta energy: -12.400 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: 338 Temperature: 1.000000 Total energy: -134.984108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.984108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.984108 (E_RNA) where: Base-Base interactions energy: -79.449 where: short stacking energy: -56.677 Base-Backbone interact. energy: -0.125 local terms energy: -55.409781 where: bonds (distance) C4'-P energy: -11.379 bonds (distance) P-C4' energy: -15.290 flat angles C4'-P-C4' energy: -10.198 flat angles P-C4'-P energy: -11.120 tors. eta vs tors. theta energy: -7.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -114.935572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.935572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.935572 (E_RNA) where: Base-Base interactions energy: -56.545 where: short stacking energy: -50.516 Base-Backbone interact. energy: -0.229 local terms energy: -58.161439 where: bonds (distance) C4'-P energy: -12.255 bonds (distance) P-C4' energy: -16.693 flat angles C4'-P-C4' energy: -13.393 flat angles P-C4'-P energy: -8.269 tors. eta vs tors. theta energy: -7.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -128.885178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.885178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.885178 (E_RNA) where: Base-Base interactions energy: -76.445 where: short stacking energy: -45.899 Base-Backbone interact. energy: -0.080 local terms energy: -52.359627 where: bonds (distance) C4'-P energy: -12.699 bonds (distance) P-C4' energy: -11.921 flat angles C4'-P-C4' energy: -10.051 flat angles P-C4'-P energy: -7.999 tors. eta vs tors. theta energy: -9.690 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: 3 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -98.651956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.651956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.651956 (E_RNA) where: Base-Base interactions energy: -46.686 where: short stacking energy: -46.686 Base-Backbone interact. energy: -0.001 local terms energy: -51.965241 where: bonds (distance) C4'-P energy: -10.115 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -11.941 flat angles P-C4'-P energy: -5.080 tors. eta vs tors. theta energy: -9.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -82.157594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.157594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.157594 (E_RNA) where: Base-Base interactions energy: -35.992 where: short stacking energy: -24.411 Base-Backbone interact. energy: -0.364 local terms energy: -45.802266 where: bonds (distance) C4'-P energy: -12.662 bonds (distance) P-C4' energy: -9.259 flat angles C4'-P-C4' energy: -14.209 flat angles P-C4'-P energy: -6.519 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: 8, replica: 6 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -81.716003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.716003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.716003 (E_RNA) where: Base-Base interactions energy: -33.467 where: short stacking energy: -32.130 Base-Backbone interact. energy: -0.152 local terms energy: -48.097359 where: bonds (distance) C4'-P energy: -11.943 bonds (distance) P-C4' energy: -11.079 flat angles C4'-P-C4' energy: -12.526 flat angles P-C4'-P energy: -11.757 tors. eta vs tors. theta energy: -0.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -77.145242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.145242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.145242 (E_RNA) where: Base-Base interactions energy: -39.556 where: short stacking energy: -22.983 Base-Backbone interact. energy: 0.108 local terms energy: -37.697530 where: bonds (distance) C4'-P energy: -10.576 bonds (distance) P-C4' energy: -8.468 flat angles C4'-P-C4' energy: -12.850 flat angles P-C4'-P energy: -6.170 tors. eta vs tors. theta energy: 0.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -77.702871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.702871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.702871 (E_RNA) where: Base-Base interactions energy: -30.229 where: short stacking energy: -29.756 Base-Backbone interact. energy: -0.037 local terms energy: -47.436495 where: bonds (distance) C4'-P energy: -13.660 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -8.157 flat angles P-C4'-P energy: -5.395 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: 1, replica: 7 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -142.992616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.992616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.992616 (E_RNA) where: Base-Base interactions energy: -83.230 where: short stacking energy: -49.874 Base-Backbone interact. energy: 0.075 local terms energy: -59.838195 where: bonds (distance) C4'-P energy: -13.693 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -11.178 flat angles P-C4'-P energy: -8.391 tors. eta vs tors. theta energy: -11.930 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: 2 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -144.872678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.872678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.872678 (E_RNA) where: Base-Base interactions energy: -87.676 where: short stacking energy: -53.581 Base-Backbone interact. energy: -0.085 local terms energy: -57.111677 where: bonds (distance) C4'-P energy: -10.375 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -10.865 flat angles P-C4'-P energy: -9.248 tors. eta vs tors. theta energy: -11.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -135.001985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.001985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.001985 (E_RNA) where: Base-Base interactions energy: -76.655 where: short stacking energy: -42.933 Base-Backbone interact. energy: -0.214 local terms energy: -58.132645 where: bonds (distance) C4'-P energy: -13.908 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -11.099 flat angles P-C4'-P energy: -8.945 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: 4, replica: 4 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -138.305722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.305722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.305722 (E_RNA) where: Base-Base interactions energy: -80.538 where: short stacking energy: -54.011 Base-Backbone interact. energy: -0.280 local terms energy: -57.487805 where: bonds (distance) C4'-P energy: -13.999 bonds (distance) P-C4' energy: -14.339 flat angles C4'-P-C4' energy: -12.797 flat angles P-C4'-P energy: -7.526 tors. eta vs tors. theta energy: -8.827 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: 8 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -101.178236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.178236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.178236 (E_RNA) where: Base-Base interactions energy: -59.339 where: short stacking energy: -43.047 Base-Backbone interact. energy: -0.047 local terms energy: -41.791764 where: bonds (distance) C4'-P energy: -8.579 bonds (distance) P-C4' energy: -6.868 flat angles C4'-P-C4' energy: -8.112 flat angles P-C4'-P energy: -10.981 tors. eta vs tors. theta energy: -7.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -97.502347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.502347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.502347 (E_RNA) where: Base-Base interactions energy: -49.708 where: short stacking energy: -43.982 Base-Backbone interact. energy: -0.174 local terms energy: -47.620396 where: bonds (distance) C4'-P energy: -7.296 bonds (distance) P-C4' energy: -12.455 flat angles C4'-P-C4' energy: -9.729 flat angles P-C4'-P energy: -7.370 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: 7, replica: 3 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -97.092178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.092178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.092178 (E_RNA) where: Base-Base interactions energy: -49.503 where: short stacking energy: -49.503 Base-Backbone interact. energy: -0.008 local terms energy: -47.581417 where: bonds (distance) C4'-P energy: -11.362 bonds (distance) P-C4' energy: -11.604 flat angles C4'-P-C4' energy: -10.138 flat angles P-C4'-P energy: -4.174 tors. eta vs tors. theta energy: -10.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -81.822033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.822033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.822033 (E_RNA) where: Base-Base interactions energy: -38.349 where: short stacking energy: -29.760 Base-Backbone interact. energy: -0.724 local terms energy: -42.748430 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -9.327 flat angles P-C4'-P energy: -7.724 tors. eta vs tors. theta energy: -4.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -79.633175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.633175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.633175 (E_RNA) where: Base-Base interactions energy: -28.889 where: short stacking energy: -28.205 Base-Backbone interact. energy: 0.859 local terms energy: -51.603338 where: bonds (distance) C4'-P energy: -11.395 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -11.650 flat angles P-C4'-P energy: -5.784 tors. eta vs tors. theta energy: -7.907 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: 9 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -83.265878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.265878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.265878 (E_RNA) where: Base-Base interactions energy: -37.528 where: short stacking energy: -34.907 Base-Backbone interact. energy: -0.054 local terms energy: -45.683525 where: bonds (distance) C4'-P energy: -13.457 bonds (distance) P-C4' energy: -11.837 flat angles C4'-P-C4' energy: -10.391 flat angles P-C4'-P energy: -5.720 tors. eta vs tors. theta energy: -4.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -153.384085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.384085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.384085 (E_RNA) where: Base-Base interactions energy: -90.033 where: short stacking energy: -56.262 Base-Backbone interact. energy: 0.301 local terms energy: -63.652220 where: bonds (distance) C4'-P energy: -13.866 bonds (distance) P-C4' energy: -16.471 flat angles C4'-P-C4' energy: -12.144 flat angles P-C4'-P energy: -7.079 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: 2, replica: 7 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -137.766507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.766507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.766507 (E_RNA) where: Base-Base interactions energy: -78.910 where: short stacking energy: -46.820 Base-Backbone interact. energy: -1.007 local terms energy: -57.849895 where: bonds (distance) C4'-P energy: -14.785 bonds (distance) P-C4' energy: -12.998 flat angles C4'-P-C4' energy: -11.930 flat angles P-C4'-P energy: -7.688 tors. eta vs tors. theta energy: -10.450 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: 4 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -154.674755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.674755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.674755 (E_RNA) where: Base-Base interactions energy: -91.679 where: short stacking energy: -59.803 Base-Backbone interact. energy: -0.145 local terms energy: -62.850969 where: bonds (distance) C4'-P energy: -13.311 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -11.608 flat angles P-C4'-P energy: -9.614 tors. eta vs tors. theta energy: -13.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -134.555861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.555861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.555861 (E_RNA) where: Base-Base interactions energy: -81.666 where: short stacking energy: -49.593 Base-Backbone interact. energy: -0.215 local terms energy: -52.674379 where: bonds (distance) C4'-P energy: -10.578 bonds (distance) P-C4' energy: -11.654 flat angles C4'-P-C4' energy: -8.279 flat angles P-C4'-P energy: -12.760 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: 5, replica: 5 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -108.991329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.991329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.991329 (E_RNA) where: Base-Base interactions energy: -52.244 where: short stacking energy: -49.918 Base-Backbone interact. energy: -0.002 local terms energy: -56.745908 where: bonds (distance) C4'-P energy: -10.193 bonds (distance) P-C4' energy: -11.509 flat angles C4'-P-C4' energy: -12.349 flat angles P-C4'-P energy: -11.979 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: 6, replica: 8 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -94.468485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.468485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.468485 (E_RNA) where: Base-Base interactions energy: -44.106 where: short stacking energy: -43.690 Base-Backbone interact. energy: -0.016 local terms energy: -50.345904 where: bonds (distance) C4'-P energy: -13.589 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -9.252 flat angles P-C4'-P energy: -1.623 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: 7, replica: 1 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -88.944404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.944404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.944404 (E_RNA) where: Base-Base interactions energy: -35.268 where: short stacking energy: -35.268 Base-Backbone interact. energy: -0.077 local terms energy: -53.599454 where: bonds (distance) C4'-P energy: -10.273 bonds (distance) P-C4' energy: -12.631 flat angles C4'-P-C4' energy: -12.446 flat angles P-C4'-P energy: -9.999 tors. eta vs tors. theta energy: -8.250 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: 3 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -84.749241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.749241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.749241 (E_RNA) where: Base-Base interactions energy: -41.126 where: short stacking energy: -38.755 Base-Backbone interact. energy: -0.054 local terms energy: -43.569192 where: bonds (distance) C4'-P energy: -12.520 bonds (distance) P-C4' energy: -12.218 flat angles C4'-P-C4' energy: -7.913 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -4.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -78.552093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.552093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.552093 (E_RNA) where: Base-Base interactions energy: -39.388 where: short stacking energy: -38.690 Base-Backbone interact. energy: -0.018 local terms energy: -39.145802 where: bonds (distance) C4'-P energy: -8.633 bonds (distance) P-C4' energy: -11.490 flat angles C4'-P-C4' energy: -7.904 flat angles P-C4'-P energy: -6.732 tors. eta vs tors. theta energy: -4.387 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: 10, replica: 6 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -77.337791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.337791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.337791 (E_RNA) where: Base-Base interactions energy: -35.787 where: short stacking energy: -26.085 Base-Backbone interact. energy: -0.339 local terms energy: -41.211336 where: bonds (distance) C4'-P energy: -10.816 bonds (distance) P-C4' energy: -11.730 flat angles C4'-P-C4' energy: -10.616 flat angles P-C4'-P energy: -4.734 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: 1, replica: 2 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -154.359797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.359797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.359797 (E_RNA) where: Base-Base interactions energy: -91.401 where: short stacking energy: -55.131 Base-Backbone interact. energy: -0.426 local terms energy: -62.533142 where: bonds (distance) C4'-P energy: -15.394 bonds (distance) P-C4' energy: -14.345 flat angles C4'-P-C4' energy: -13.363 flat angles P-C4'-P energy: -7.547 tors. eta vs tors. theta energy: -11.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -166.348334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.348334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.348334 (E_RNA) where: Base-Base interactions energy: -101.231 where: short stacking energy: -61.857 Base-Backbone interact. energy: -0.002 local terms energy: -65.115759 where: bonds (distance) C4'-P energy: -14.236 bonds (distance) P-C4' energy: -13.050 flat angles C4'-P-C4' energy: -11.901 flat angles P-C4'-P energy: -9.765 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: 7 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -148.822616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.822616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.822616 (E_RNA) where: Base-Base interactions energy: -89.455 where: short stacking energy: -58.854 Base-Backbone interact. energy: -0.080 local terms energy: -59.287861 where: bonds (distance) C4'-P energy: -12.471 bonds (distance) P-C4' energy: -13.835 flat angles C4'-P-C4' energy: -12.601 flat angles P-C4'-P energy: -9.425 tors. eta vs tors. theta energy: -10.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -100.342737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.342737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.342737 (E_RNA) where: Base-Base interactions energy: -53.381 where: short stacking energy: -49.956 Base-Backbone interact. energy: -0.625 local terms energy: -46.336647 where: bonds (distance) C4'-P energy: -3.271 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -10.542 flat angles P-C4'-P energy: -9.114 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: 5, replica: 10 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -137.427206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.427206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.427206 (E_RNA) where: Base-Base interactions energy: -83.120 where: short stacking energy: -49.040 Base-Backbone interact. energy: -0.079 local terms energy: -54.228238 where: bonds (distance) C4'-P energy: -10.464 bonds (distance) P-C4' energy: -10.551 flat angles C4'-P-C4' energy: -13.545 flat angles P-C4'-P energy: -7.974 tors. eta vs tors. theta energy: -11.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -89.012866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.012866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.012866 (E_RNA) where: Base-Base interactions energy: -39.373 where: short stacking energy: -30.909 Base-Backbone interact. energy: 0.137 local terms energy: -49.777004 where: bonds (distance) C4'-P energy: -9.255 bonds (distance) P-C4' energy: -14.803 flat angles C4'-P-C4' energy: -13.136 flat angles P-C4'-P energy: -6.890 tors. eta vs tors. theta energy: -5.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -81.098630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.098630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.098630 (E_RNA) where: Base-Base interactions energy: -35.195 where: short stacking energy: -31.713 Base-Backbone interact. energy: -0.693 local terms energy: -45.210125 where: bonds (distance) C4'-P energy: -10.848 bonds (distance) P-C4' energy: -12.356 flat angles C4'-P-C4' energy: -11.398 flat angles P-C4'-P energy: -6.272 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: 8, replica: 3 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -92.825237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.825237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.825237 (E_RNA) where: Base-Base interactions energy: -41.641 where: short stacking energy: -37.928 Base-Backbone interact. energy: -0.044 local terms energy: -51.140451 where: bonds (distance) C4'-P energy: -12.210 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -10.200 flat angles P-C4'-P energy: -11.034 tors. eta vs tors. theta energy: -3.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -87.853384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.853384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.853384 (E_RNA) where: Base-Base interactions energy: -31.346 where: short stacking energy: -28.407 Base-Backbone interact. energy: -0.053 local terms energy: -56.455050 where: bonds (distance) C4'-P energy: -12.765 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -13.441 flat angles P-C4'-P energy: -8.757 tors. eta vs tors. theta energy: -6.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -79.878214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.878214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.878214 (E_RNA) where: Base-Base interactions energy: -34.593 where: short stacking energy: -30.034 Base-Backbone interact. energy: -0.185 local terms energy: -45.100293 where: bonds (distance) C4'-P energy: -13.120 bonds (distance) P-C4' energy: -15.077 flat angles C4'-P-C4' energy: -9.458 flat angles P-C4'-P energy: 0.348 tors. eta vs tors. theta energy: -7.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -157.565037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.565037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.565037 (E_RNA) where: Base-Base interactions energy: -93.551 where: short stacking energy: -58.060 Base-Backbone interact. energy: -0.000 local terms energy: -64.013386 where: bonds (distance) C4'-P energy: -14.346 bonds (distance) P-C4' energy: -15.017 flat angles C4'-P-C4' energy: -12.755 flat angles P-C4'-P energy: -6.485 tors. eta vs tors. theta energy: -15.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -153.043977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.043977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.043977 (E_RNA) where: Base-Base interactions energy: -89.122 where: short stacking energy: -58.888 Base-Backbone interact. energy: -0.086 local terms energy: -63.836110 where: bonds (distance) C4'-P energy: -13.863 bonds (distance) P-C4' energy: -14.495 flat angles C4'-P-C4' energy: -10.101 flat angles P-C4'-P energy: -9.785 tors. eta vs tors. theta energy: -15.593 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: 7 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -143.898063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.898063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.898063 (E_RNA) where: Base-Base interactions energy: -85.357 where: short stacking energy: -52.799 Base-Backbone interact. energy: -0.047 local terms energy: -58.493501 where: bonds (distance) C4'-P energy: -14.430 bonds (distance) P-C4' energy: -11.944 flat angles C4'-P-C4' energy: -13.147 flat angles P-C4'-P energy: -7.407 tors. eta vs tors. theta energy: -11.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -104.874324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.874324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.874324 (E_RNA) where: Base-Base interactions energy: -51.834 where: short stacking energy: -51.834 Base-Backbone interact. energy: -0.033 local terms energy: -53.007040 where: bonds (distance) C4'-P energy: -9.801 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -11.438 flat angles P-C4'-P energy: -6.321 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: 5, replica: 10 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -137.836103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.836103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.836103 (E_RNA) where: Base-Base interactions energy: -79.380 where: short stacking energy: -50.090 Base-Backbone interact. energy: 1.284 local terms energy: -59.739269 where: bonds (distance) C4'-P energy: -11.967 bonds (distance) P-C4' energy: -16.718 flat angles C4'-P-C4' energy: -12.194 flat angles P-C4'-P energy: -7.137 tors. eta vs tors. theta energy: -11.724 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: 1 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -96.372549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.372549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.372549 (E_RNA) where: Base-Base interactions energy: -43.909 where: short stacking energy: -43.909 Base-Backbone interact. energy: -0.298 local terms energy: -52.165718 where: bonds (distance) C4'-P energy: -11.147 bonds (distance) P-C4' energy: -10.346 flat angles C4'-P-C4' energy: -11.907 flat angles P-C4'-P energy: -9.132 tors. eta vs tors. theta energy: -9.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -91.605846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.605846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.605846 (E_RNA) where: Base-Base interactions energy: -44.809 where: short stacking energy: -35.749 Base-Backbone interact. energy: -0.351 local terms energy: -46.445869 where: bonds (distance) C4'-P energy: -9.392 bonds (distance) P-C4' energy: -14.305 flat angles C4'-P-C4' energy: -13.634 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -4.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -94.833633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.833633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.833633 (E_RNA) where: Base-Base interactions energy: -48.385 where: short stacking energy: -32.400 Base-Backbone interact. energy: -0.060 local terms energy: -46.389481 where: bonds (distance) C4'-P energy: -11.411 bonds (distance) P-C4' energy: -13.548 flat angles C4'-P-C4' energy: -10.798 flat angles P-C4'-P energy: -3.729 tors. eta vs tors. theta energy: -6.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -82.987142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.987142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.987142 (E_RNA) where: Base-Base interactions energy: -29.172 where: short stacking energy: -29.074 Base-Backbone interact. energy: -0.580 local terms energy: -53.234554 where: bonds (distance) C4'-P energy: -14.276 bonds (distance) P-C4' energy: -10.755 flat angles C4'-P-C4' energy: -13.333 flat angles P-C4'-P energy: -6.776 tors. eta vs tors. theta energy: -8.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -83.723805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.723805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.723805 (E_RNA) where: Base-Base interactions energy: -31.900 where: short stacking energy: -30.159 Base-Backbone interact. energy: -0.005 local terms energy: -51.818158 where: bonds (distance) C4'-P energy: -11.423 bonds (distance) P-C4' energy: -12.972 flat angles C4'-P-C4' energy: -12.687 flat angles P-C4'-P energy: -7.014 tors. eta vs tors. theta energy: -7.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -170.710778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.710778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.710778 (E_RNA) where: Base-Base interactions energy: -105.987 where: short stacking energy: -66.444 Base-Backbone interact. energy: -0.004 local terms energy: -64.720039 where: bonds (distance) C4'-P energy: -12.231 bonds (distance) P-C4' energy: -14.174 flat angles C4'-P-C4' energy: -11.582 flat angles P-C4'-P energy: -8.909 tors. eta vs tors. theta energy: -17.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -145.113205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.113205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.113205 (E_RNA) where: Base-Base interactions energy: -87.040 where: short stacking energy: -61.060 Base-Backbone interact. energy: -0.008 local terms energy: -58.064783 where: bonds (distance) C4'-P energy: -12.381 bonds (distance) P-C4' energy: -10.538 flat angles C4'-P-C4' energy: -14.728 flat angles P-C4'-P energy: -9.699 tors. eta vs tors. theta energy: -10.719 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: 2 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -140.458207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.458207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.458207 (E_RNA) where: Base-Base interactions energy: -84.252 where: short stacking energy: -57.816 Base-Backbone interact. energy: -0.093 local terms energy: -56.113107 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -14.697 flat angles C4'-P-C4' energy: -10.128 flat angles P-C4'-P energy: -6.925 tors. eta vs tors. theta energy: -12.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -131.856047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.856047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.856047 (E_RNA) where: Base-Base interactions energy: -79.403 where: short stacking energy: -49.131 Base-Backbone interact. energy: -0.002 local terms energy: -52.450819 where: bonds (distance) C4'-P energy: -10.211 bonds (distance) P-C4' energy: -12.418 flat angles C4'-P-C4' energy: -13.000 flat angles P-C4'-P energy: -9.756 tors. eta vs tors. theta energy: -7.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -112.105439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.105439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.105439 (E_RNA) where: Base-Base interactions energy: -56.119 where: short stacking energy: -56.119 Base-Backbone interact. energy: -0.685 local terms energy: -55.300549 where: bonds (distance) C4'-P energy: -13.014 bonds (distance) P-C4' energy: -10.755 flat angles C4'-P-C4' energy: -10.080 flat angles P-C4'-P energy: -9.159 tors. eta vs tors. theta energy: -12.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -121.570803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.570803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.570803 (E_RNA) where: Base-Base interactions energy: -64.352 where: short stacking energy: -51.463 Base-Backbone interact. energy: -0.087 local terms energy: -57.131864 where: bonds (distance) C4'-P energy: -12.195 bonds (distance) P-C4' energy: -13.863 flat angles C4'-P-C4' energy: -9.551 flat angles P-C4'-P energy: -9.990 tors. eta vs tors. theta energy: -11.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -123.203738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.203738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.203738 (E_RNA) where: Base-Base interactions energy: -78.109 where: short stacking energy: -40.197 Base-Backbone interact. energy: -0.066 local terms energy: -45.029102 where: bonds (distance) C4'-P energy: -9.521 bonds (distance) P-C4' energy: -12.710 flat angles C4'-P-C4' energy: -8.237 flat angles P-C4'-P energy: -7.260 tors. eta vs tors. theta energy: -7.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -86.327457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.327457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.327457 (E_RNA) where: Base-Base interactions energy: -32.562 where: short stacking energy: -32.425 Base-Backbone interact. energy: -0.032 local terms energy: -53.732952 where: bonds (distance) C4'-P energy: -15.080 bonds (distance) P-C4' energy: -11.866 flat angles C4'-P-C4' energy: -9.901 flat angles P-C4'-P energy: -9.312 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: 9, replica: 6 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -76.238281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.238281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.238281 (E_RNA) where: Base-Base interactions energy: -28.009 where: short stacking energy: -26.879 Base-Backbone interact. energy: -0.123 local terms energy: -48.105468 where: bonds (distance) C4'-P energy: -11.887 bonds (distance) P-C4' energy: -12.122 flat angles C4'-P-C4' energy: -13.044 flat angles P-C4'-P energy: -4.247 tors. eta vs tors. theta energy: -6.806 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: 343 Temperature: 1.350000 Total energy: -80.327621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.327621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.327621 (E_RNA) where: Base-Base interactions energy: -42.706 where: short stacking energy: -26.853 Base-Backbone interact. energy: -0.031 local terms energy: -37.591385 where: bonds (distance) C4'-P energy: -10.078 bonds (distance) P-C4' energy: -10.204 flat angles C4'-P-C4' energy: -9.714 flat angles P-C4'-P energy: -3.830 tors. eta vs tors. theta energy: -3.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -168.202755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.202755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.202755 (E_RNA) where: Base-Base interactions energy: -104.435 where: short stacking energy: -63.371 Base-Backbone interact. energy: -0.072 local terms energy: -63.696257 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -12.476 flat angles C4'-P-C4' energy: -14.385 flat angles P-C4'-P energy: -8.058 tors. eta vs tors. theta energy: -15.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -153.657606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.657606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.657606 (E_RNA) where: Base-Base interactions energy: -95.514 where: short stacking energy: -58.445 Base-Backbone interact. energy: -0.013 local terms energy: -58.130638 where: bonds (distance) C4'-P energy: -12.566 bonds (distance) P-C4' energy: -11.559 flat angles C4'-P-C4' energy: -11.780 flat angles P-C4'-P energy: -9.303 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: 3, replica: 10 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -139.023477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.023477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.023477 (E_RNA) where: Base-Base interactions energy: -83.265 where: short stacking energy: -52.225 Base-Backbone interact. energy: -0.058 local terms energy: -55.700468 where: bonds (distance) C4'-P energy: -12.115 bonds (distance) P-C4' energy: -10.189 flat angles C4'-P-C4' energy: -11.668 flat angles P-C4'-P energy: -7.748 tors. eta vs tors. theta energy: -13.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -132.403775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.403775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.403775 (E_RNA) where: Base-Base interactions energy: -79.762 where: short stacking energy: -46.984 Base-Backbone interact. energy: 1.096 local terms energy: -53.737510 where: bonds (distance) C4'-P energy: -12.396 bonds (distance) P-C4' energy: -14.271 flat angles C4'-P-C4' energy: -11.763 flat angles P-C4'-P energy: -5.689 tors. eta vs tors. theta energy: -9.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -98.456281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.456281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.456281 (E_RNA) where: Base-Base interactions energy: -51.818 where: short stacking energy: -34.004 Base-Backbone interact. energy: -0.504 local terms energy: -46.135049 where: bonds (distance) C4'-P energy: -14.343 bonds (distance) P-C4' energy: -14.217 flat angles C4'-P-C4' energy: -9.228 flat angles P-C4'-P energy: -1.355 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: 6, replica: 5 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -95.456910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.456910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.456910 (E_RNA) where: Base-Base interactions energy: -44.389 where: short stacking energy: -42.224 Base-Backbone interact. energy: -0.328 local terms energy: -50.739987 where: bonds (distance) C4'-P energy: -10.692 bonds (distance) P-C4' energy: -13.538 flat angles C4'-P-C4' energy: -13.653 flat angles P-C4'-P energy: -9.179 tors. eta vs tors. theta energy: -3.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -118.506146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.506146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.506146 (E_RNA) where: Base-Base interactions energy: -75.369 where: short stacking energy: -35.972 Base-Backbone interact. energy: -0.692 local terms energy: -42.445597 where: bonds (distance) C4'-P energy: -2.238 bonds (distance) P-C4' energy: -14.920 flat angles C4'-P-C4' energy: -13.027 flat angles P-C4'-P energy: -2.298 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: 8, replica: 8 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -96.996705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.996705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.996705 (E_RNA) where: Base-Base interactions energy: -43.432 where: short stacking energy: -26.935 Base-Backbone interact. energy: -0.036 local terms energy: -53.529065 where: bonds (distance) C4'-P energy: -13.945 bonds (distance) P-C4' energy: -14.976 flat angles C4'-P-C4' energy: -12.073 flat angles P-C4'-P energy: -4.987 tors. eta vs tors. theta energy: -7.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -73.534890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.534890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.534890 (E_RNA) where: Base-Base interactions energy: -26.204 where: short stacking energy: -26.204 Base-Backbone interact. energy: -0.204 local terms energy: -47.126616 where: bonds (distance) C4'-P energy: -11.064 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -12.103 flat angles P-C4'-P energy: -8.344 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: 6 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -79.673318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.673318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.673318 (E_RNA) where: Base-Base interactions energy: -33.546 where: short stacking energy: -30.605 Base-Backbone interact. energy: -0.113 local terms energy: -46.014072 where: bonds (distance) C4'-P energy: -11.421 bonds (distance) P-C4' energy: -11.372 flat angles C4'-P-C4' energy: -9.347 flat angles P-C4'-P energy: -4.618 tors. eta vs tors. theta energy: -9.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -160.391026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.391026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.391026 (E_RNA) where: Base-Base interactions energy: -94.854 where: short stacking energy: -57.741 Base-Backbone interact. energy: 0.419 local terms energy: -65.956374 where: bonds (distance) C4'-P energy: -12.534 bonds (distance) P-C4' energy: -14.854 flat angles C4'-P-C4' energy: -14.384 flat angles P-C4'-P energy: -10.363 tors. eta vs tors. theta energy: -13.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -161.033296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.033296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.033296 (E_RNA) where: Base-Base interactions energy: -101.560 where: short stacking energy: -65.666 Base-Backbone interact. energy: 1.054 local terms energy: -60.527525 where: bonds (distance) C4'-P energy: -9.843 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -11.624 flat angles P-C4'-P energy: -7.464 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: 3, replica: 10 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -138.903092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.903092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.903092 (E_RNA) where: Base-Base interactions energy: -78.854 where: short stacking energy: -54.326 Base-Backbone interact. energy: -0.179 local terms energy: -59.869687 where: bonds (distance) C4'-P energy: -13.711 bonds (distance) P-C4' energy: -10.143 flat angles C4'-P-C4' energy: -14.408 flat angles P-C4'-P energy: -11.206 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: 4, replica: 3 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -104.171014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.171014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.171014 (E_RNA) where: Base-Base interactions energy: -45.558 where: short stacking energy: -45.558 Base-Backbone interact. energy: -0.016 local terms energy: -58.597023 where: bonds (distance) C4'-P energy: -12.184 bonds (distance) P-C4' energy: -12.423 flat angles C4'-P-C4' energy: -12.388 flat angles P-C4'-P energy: -9.826 tors. eta vs tors. theta energy: -11.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -121.419000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.419000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.419000 (E_RNA) where: Base-Base interactions energy: -70.377 where: short stacking energy: -41.898 Base-Backbone interact. energy: -0.159 local terms energy: -50.883365 where: bonds (distance) C4'-P energy: -12.132 bonds (distance) P-C4' energy: -12.566 flat angles C4'-P-C4' energy: -15.070 flat angles P-C4'-P energy: -4.808 tors. eta vs tors. theta energy: -6.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -118.566147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.566147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.566147 (E_RNA) where: Base-Base interactions energy: -67.609 where: short stacking energy: -41.625 Base-Backbone interact. energy: -0.050 local terms energy: -50.907734 where: bonds (distance) C4'-P energy: -14.082 bonds (distance) P-C4' energy: -9.880 flat angles C4'-P-C4' energy: -12.826 flat angles P-C4'-P energy: -6.701 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: 7, replica: 5 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -90.358789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.358789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.358789 (E_RNA) where: Base-Base interactions energy: -43.450 where: short stacking energy: -38.124 Base-Backbone interact. energy: -0.174 local terms energy: -46.734609 where: bonds (distance) C4'-P energy: -6.795 bonds (distance) P-C4' energy: -12.448 flat angles C4'-P-C4' energy: -9.806 flat angles P-C4'-P energy: -7.286 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: 8, replica: 8 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -88.541468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.541468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.541468 (E_RNA) where: Base-Base interactions energy: -46.298 where: short stacking energy: -28.629 Base-Backbone interact. energy: -0.032 local terms energy: -42.210675 where: bonds (distance) C4'-P energy: -9.933 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -13.021 flat angles P-C4'-P energy: -4.435 tors. eta vs tors. theta energy: -1.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -82.443755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.443755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.443755 (E_RNA) where: Base-Base interactions energy: -37.379 where: short stacking energy: -32.529 Base-Backbone interact. energy: -0.009 local terms energy: -45.056335 where: bonds (distance) C4'-P energy: -11.084 bonds (distance) P-C4' energy: -14.114 flat angles C4'-P-C4' energy: -10.665 flat angles P-C4'-P energy: -3.471 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: 6 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -78.272994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.272994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.272994 (E_RNA) where: Base-Base interactions energy: -33.815 where: short stacking energy: -32.161 Base-Backbone interact. energy: -0.121 local terms energy: -44.337277 where: bonds (distance) C4'-P energy: -10.307 bonds (distance) P-C4' energy: -11.799 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -9.357 tors. eta vs tors. theta energy: -6.817 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: 7 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -153.417215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.417215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.417215 (E_RNA) where: Base-Base interactions energy: -92.913 where: short stacking energy: -57.624 Base-Backbone interact. energy: -0.002 local terms energy: -60.502376 where: bonds (distance) C4'-P energy: -11.490 bonds (distance) P-C4' energy: -12.929 flat angles C4'-P-C4' energy: -12.725 flat angles P-C4'-P energy: -10.106 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: 2, replica: 4 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -153.411107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.411107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.411107 (E_RNA) where: Base-Base interactions energy: -93.999 where: short stacking energy: -57.918 Base-Backbone interact. energy: -0.070 local terms energy: -59.341910 where: bonds (distance) C4'-P energy: -12.948 bonds (distance) P-C4' energy: -14.542 flat angles C4'-P-C4' energy: -11.484 flat angles P-C4'-P energy: -7.229 tors. eta vs tors. theta energy: -13.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -110.359813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.359813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.359813 (E_RNA) where: Base-Base interactions energy: -56.964 where: short stacking energy: -56.964 Base-Backbone interact. energy: -0.001 local terms energy: -53.394969 where: bonds (distance) C4'-P energy: -8.058 bonds (distance) P-C4' energy: -13.563 flat angles C4'-P-C4' energy: -13.195 flat angles P-C4'-P energy: -8.308 tors. eta vs tors. theta energy: -10.271 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: 10 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -138.790930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.790930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.790930 (E_RNA) where: Base-Base interactions energy: -81.462 where: short stacking energy: -52.508 Base-Backbone interact. energy: -0.100 local terms energy: -57.229845 where: bonds (distance) C4'-P energy: -10.138 bonds (distance) P-C4' energy: -12.888 flat angles C4'-P-C4' energy: -13.562 flat angles P-C4'-P energy: -9.670 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: 5, replica: 1 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -123.306954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.306954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.306954 (E_RNA) where: Base-Base interactions energy: -72.612 where: short stacking energy: -50.253 Base-Backbone interact. energy: -0.315 local terms energy: -50.379107 where: bonds (distance) C4'-P energy: -10.151 bonds (distance) P-C4' energy: -11.045 flat angles C4'-P-C4' energy: -11.026 flat angles P-C4'-P energy: -5.664 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: 6, replica: 2 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -132.600755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.600755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.600755 (E_RNA) where: Base-Base interactions energy: -79.355 where: short stacking energy: -42.927 Base-Backbone interact. energy: 0.240 local terms energy: -53.484900 where: bonds (distance) C4'-P energy: -12.053 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -9.038 flat angles P-C4'-P energy: -7.615 tors. eta vs tors. theta energy: -11.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -89.056351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.056351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.056351 (E_RNA) where: Base-Base interactions energy: -54.317 where: short stacking energy: -26.385 Base-Backbone interact. energy: -0.125 local terms energy: -34.614429 where: bonds (distance) C4'-P energy: -6.394 bonds (distance) P-C4' energy: -8.483 flat angles C4'-P-C4' energy: -10.721 flat angles P-C4'-P energy: -7.321 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: 5 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -76.180390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.180390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.180390 (E_RNA) where: Base-Base interactions energy: -25.061 where: short stacking energy: -25.061 Base-Backbone interact. energy: -0.198 local terms energy: -50.921900 where: bonds (distance) C4'-P energy: -13.916 bonds (distance) P-C4' energy: -10.918 flat angles C4'-P-C4' energy: -14.240 flat angles P-C4'-P energy: -5.778 tors. eta vs tors. theta energy: -6.069 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: 9 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -78.066724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.066724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.066724 (E_RNA) where: Base-Base interactions energy: -29.408 where: short stacking energy: -29.408 Base-Backbone interact. energy: -0.180 local terms energy: -48.478524 where: bonds (distance) C4'-P energy: -7.544 bonds (distance) P-C4' energy: -12.743 flat angles C4'-P-C4' energy: -14.485 flat angles P-C4'-P energy: -7.907 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: 10, replica: 6 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -71.617159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.617159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.617159 (E_RNA) where: Base-Base interactions energy: -28.109 where: short stacking energy: -26.460 Base-Backbone interact. energy: -0.006 local terms energy: -43.502072 where: bonds (distance) C4'-P energy: -10.498 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -9.823 flat angles P-C4'-P energy: -7.237 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: 1, replica: 7 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -162.563198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.563198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.563198 (E_RNA) where: Base-Base interactions energy: -100.214 where: short stacking energy: -61.439 Base-Backbone interact. energy: -0.001 local terms energy: -62.347479 where: bonds (distance) C4'-P energy: -11.208 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -14.823 flat angles P-C4'-P energy: -8.768 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: 2, replica: 4 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -155.007569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.007569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.007569 (E_RNA) where: Base-Base interactions energy: -98.305 where: short stacking energy: -54.194 Base-Backbone interact. energy: -0.053 local terms energy: -56.649454 where: bonds (distance) C4'-P energy: -12.826 bonds (distance) P-C4' energy: -11.489 flat angles C4'-P-C4' energy: -13.464 flat angles P-C4'-P energy: -5.670 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: 3, replica: 3 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -117.058352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.058352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.058352 (E_RNA) where: Base-Base interactions energy: -56.354 where: short stacking energy: -51.321 Base-Backbone interact. energy: -0.900 local terms energy: -59.804135 where: bonds (distance) C4'-P energy: -13.021 bonds (distance) P-C4' energy: -14.917 flat angles C4'-P-C4' energy: -11.334 flat angles P-C4'-P energy: -7.540 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: 4, replica: 1 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -124.065297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.065297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.065297 (E_RNA) where: Base-Base interactions energy: -71.782 where: short stacking energy: -52.579 Base-Backbone interact. energy: -1.781 local terms energy: -50.501889 where: bonds (distance) C4'-P energy: -12.397 bonds (distance) P-C4' energy: -9.532 flat angles C4'-P-C4' energy: -8.687 flat angles P-C4'-P energy: -9.625 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: 10 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -141.891202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.891202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.891202 (E_RNA) where: Base-Base interactions energy: -82.756 where: short stacking energy: -53.243 Base-Backbone interact. energy: -0.151 local terms energy: -58.984631 where: bonds (distance) C4'-P energy: -11.391 bonds (distance) P-C4' energy: -13.058 flat angles C4'-P-C4' energy: -14.884 flat angles P-C4'-P energy: -6.915 tors. eta vs tors. theta energy: -12.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -130.105120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.105120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.105120 (E_RNA) where: Base-Base interactions energy: -74.550 where: short stacking energy: -40.443 Base-Backbone interact. energy: -0.046 local terms energy: -55.509253 where: bonds (distance) C4'-P energy: -15.203 bonds (distance) P-C4' energy: -14.860 flat angles C4'-P-C4' energy: -9.165 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: -12.380 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: 7, replica: 8 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -94.190510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.190510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.190510 (E_RNA) where: Base-Base interactions energy: -40.376 where: short stacking energy: -40.376 Base-Backbone interact. energy: -0.186 local terms energy: -53.628230 where: bonds (distance) C4'-P energy: -12.994 bonds (distance) P-C4' energy: -12.806 flat angles C4'-P-C4' energy: -11.825 flat angles P-C4'-P energy: -7.571 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: 8, replica: 9 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -77.319676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.319676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.319676 (E_RNA) where: Base-Base interactions energy: -39.060 where: short stacking energy: -31.687 Base-Backbone interact. energy: -0.119 local terms energy: -38.140176 where: bonds (distance) C4'-P energy: -9.533 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -5.784 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: 9, replica: 5 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -87.064868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.064868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.064868 (E_RNA) where: Base-Base interactions energy: -38.644 where: short stacking energy: -35.219 Base-Backbone interact. energy: -0.001 local terms energy: -48.420786 where: bonds (distance) C4'-P energy: -8.352 bonds (distance) P-C4' energy: -10.742 flat angles C4'-P-C4' energy: -10.951 flat angles P-C4'-P energy: -8.599 tors. eta vs tors. theta energy: -9.776 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: 10, replica: 6 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -80.845159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.845159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.845159 (E_RNA) where: Base-Base interactions energy: -35.232 where: short stacking energy: -35.232 Base-Backbone interact. energy: -0.357 local terms energy: -45.256544 where: bonds (distance) C4'-P energy: -10.765 bonds (distance) P-C4' energy: -11.299 flat angles C4'-P-C4' energy: -10.922 flat angles P-C4'-P energy: -7.981 tors. eta vs tors. theta energy: -4.290 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: 7 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -164.979257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.979257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.979257 (E_RNA) where: Base-Base interactions energy: -100.912 where: short stacking energy: -63.056 Base-Backbone interact. energy: -0.008 local terms energy: -64.059482 where: bonds (distance) C4'-P energy: -10.567 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -11.926 flat angles P-C4'-P energy: -10.057 tors. eta vs tors. theta energy: -16.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -155.378606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.378606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.378606 (E_RNA) where: Base-Base interactions energy: -96.950 where: short stacking energy: -59.785 Base-Backbone interact. energy: 1.506 local terms energy: -59.935444 where: bonds (distance) C4'-P energy: -10.666 bonds (distance) P-C4' energy: -13.020 flat angles C4'-P-C4' energy: -14.886 flat angles P-C4'-P energy: -9.814 tors. eta vs tors. theta energy: -11.550 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: 1 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -125.596094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.596094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.596094 (E_RNA) where: Base-Base interactions energy: -68.563 where: short stacking energy: -62.733 Base-Backbone interact. energy: -0.660 local terms energy: -56.373026 where: bonds (distance) C4'-P energy: -12.872 bonds (distance) P-C4' energy: -10.392 flat angles C4'-P-C4' energy: -9.728 flat angles P-C4'-P energy: -9.878 tors. eta vs tors. theta energy: -13.502 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: 3 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -147.032920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.032920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.032920 (E_RNA) where: Base-Base interactions energy: -89.349 where: short stacking energy: -58.434 Base-Backbone interact. energy: -0.002 local terms energy: -57.681408 where: bonds (distance) C4'-P energy: -9.432 bonds (distance) P-C4' energy: -12.600 flat angles C4'-P-C4' energy: -11.366 flat angles P-C4'-P energy: -9.828 tors. eta vs tors. theta energy: -14.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -129.945416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.945416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.945416 (E_RNA) where: Base-Base interactions energy: -75.261 where: short stacking energy: -48.114 Base-Backbone interact. energy: -0.022 local terms energy: -54.661895 where: bonds (distance) C4'-P energy: -12.255 bonds (distance) P-C4' energy: -13.617 flat angles C4'-P-C4' energy: -11.918 flat angles P-C4'-P energy: -7.129 tors. eta vs tors. theta energy: -9.742 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: 2 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -125.850539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.850539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.850539 (E_RNA) where: Base-Base interactions energy: -84.455 where: short stacking energy: -53.553 Base-Backbone interact. energy: -0.310 local terms energy: -41.085609 where: bonds (distance) C4'-P energy: -9.312 bonds (distance) P-C4' energy: -9.147 flat angles C4'-P-C4' energy: -5.787 flat angles P-C4'-P energy: -6.110 tors. eta vs tors. theta energy: -10.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -91.368130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.368130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.368130 (E_RNA) where: Base-Base interactions energy: -38.038 where: short stacking energy: -38.038 Base-Backbone interact. energy: -0.223 local terms energy: -53.107492 where: bonds (distance) C4'-P energy: -14.562 bonds (distance) P-C4' energy: -12.878 flat angles C4'-P-C4' energy: -10.758 flat angles P-C4'-P energy: -7.535 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: 8 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -87.645858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.645858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.645858 (E_RNA) where: Base-Base interactions energy: -43.907 where: short stacking energy: -39.744 Base-Backbone interact. energy: -0.126 local terms energy: -43.612698 where: bonds (distance) C4'-P energy: -13.001 bonds (distance) P-C4' energy: -11.852 flat angles C4'-P-C4' energy: -8.910 flat angles P-C4'-P energy: -5.665 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: 9, replica: 5 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -77.393191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.393191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.393191 (E_RNA) where: Base-Base interactions energy: -33.352 where: short stacking energy: -25.932 Base-Backbone interact. energy: -0.126 local terms energy: -43.915740 where: bonds (distance) C4'-P energy: -13.630 bonds (distance) P-C4' energy: -9.168 flat angles C4'-P-C4' energy: -8.111 flat angles P-C4'-P energy: -9.223 tors. eta vs tors. theta energy: -3.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -71.656433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.656433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.656433 (E_RNA) where: Base-Base interactions energy: -24.022 where: short stacking energy: -19.383 Base-Backbone interact. energy: -0.204 local terms energy: -47.429693 where: bonds (distance) C4'-P energy: -12.614 bonds (distance) P-C4' energy: -11.020 flat angles C4'-P-C4' energy: -10.932 flat angles P-C4'-P energy: -9.100 tors. eta vs tors. theta energy: -3.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -155.485118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.485118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.485118 (E_RNA) where: Base-Base interactions energy: -90.738 where: short stacking energy: -56.675 Base-Backbone interact. energy: -0.008 local terms energy: -64.739487 where: bonds (distance) C4'-P energy: -15.257 bonds (distance) P-C4' energy: -14.057 flat angles C4'-P-C4' energy: -13.677 flat angles P-C4'-P energy: -9.033 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: 2, replica: 4 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -151.225228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.225228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.225228 (E_RNA) where: Base-Base interactions energy: -87.257 where: short stacking energy: -54.956 Base-Backbone interact. energy: -0.001 local terms energy: -63.966499 where: bonds (distance) C4'-P energy: -11.298 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -14.674 flat angles P-C4'-P energy: -9.499 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: 3, replica: 1 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -133.114164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.114164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.114164 (E_RNA) where: Base-Base interactions energy: -78.114 where: short stacking energy: -50.316 Base-Backbone interact. energy: -0.077 local terms energy: -54.923316 where: bonds (distance) C4'-P energy: -10.642 bonds (distance) P-C4' energy: -12.669 flat angles C4'-P-C4' energy: -12.368 flat angles P-C4'-P energy: -9.284 tors. eta vs tors. theta energy: -9.961 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: 10 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -140.878276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.878276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.878276 (E_RNA) where: Base-Base interactions energy: -87.190 where: short stacking energy: -56.303 Base-Backbone interact. energy: -0.119 local terms energy: -53.569839 where: bonds (distance) C4'-P energy: -12.451 bonds (distance) P-C4' energy: -12.010 flat angles C4'-P-C4' energy: -12.686 flat angles P-C4'-P energy: -8.164 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: 5, replica: 3 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -145.181583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.181583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.181583 (E_RNA) where: Base-Base interactions energy: -83.225 where: short stacking energy: -52.020 Base-Backbone interact. energy: -0.029 local terms energy: -61.928195 where: bonds (distance) C4'-P energy: -14.582 bonds (distance) P-C4' energy: -12.585 flat angles C4'-P-C4' energy: -15.245 flat angles P-C4'-P energy: -9.723 tors. eta vs tors. theta energy: -9.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -118.966823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.966823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.966823 (E_RNA) where: Base-Base interactions energy: -66.673 where: short stacking energy: -41.875 Base-Backbone interact. energy: -0.108 local terms energy: -52.186032 where: bonds (distance) C4'-P energy: -14.769 bonds (distance) P-C4' energy: -12.848 flat angles C4'-P-C4' energy: -11.368 flat angles P-C4'-P energy: -7.145 tors. eta vs tors. theta energy: -6.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -104.228347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.228347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.228347 (E_RNA) where: Base-Base interactions energy: -57.475 where: short stacking energy: -49.625 Base-Backbone interact. energy: -0.025 local terms energy: -46.727930 where: bonds (distance) C4'-P energy: -13.167 bonds (distance) P-C4' energy: -3.089 flat angles C4'-P-C4' energy: -13.533 flat angles P-C4'-P energy: -6.009 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: 8, replica: 5 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -71.916911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.916911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.916911 (E_RNA) where: Base-Base interactions energy: -29.598 where: short stacking energy: -28.200 Base-Backbone interact. energy: 4.203 local terms energy: -46.522637 where: bonds (distance) C4'-P energy: -10.243 bonds (distance) P-C4' energy: -15.467 flat angles C4'-P-C4' energy: -12.457 flat angles P-C4'-P energy: -5.677 tors. eta vs tors. theta energy: -2.679 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: 8 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -75.561981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.561981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.561981 (E_RNA) where: Base-Base interactions energy: -33.121 where: short stacking energy: -30.017 Base-Backbone interact. energy: -0.027 local terms energy: -42.413839 where: bonds (distance) C4'-P energy: -5.103 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -9.621 flat angles P-C4'-P energy: -6.473 tors. eta vs tors. theta energy: -6.378 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: 10, replica: 6 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -73.432333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.432333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.432333 (E_RNA) where: Base-Base interactions energy: -29.442 where: short stacking energy: -28.439 Base-Backbone interact. energy: -0.100 local terms energy: -43.890661 where: bonds (distance) C4'-P energy: -12.512 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -10.738 flat angles P-C4'-P energy: -5.406 tors. eta vs tors. theta energy: -1.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -152.823889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.823889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.823889 (E_RNA) where: Base-Base interactions energy: -92.679 where: short stacking energy: -62.326 Base-Backbone interact. energy: -0.279 local terms energy: -59.865836 where: bonds (distance) C4'-P energy: -9.478 bonds (distance) P-C4' energy: -14.088 flat angles C4'-P-C4' energy: -14.042 flat angles P-C4'-P energy: -11.415 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: 2, replica: 4 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -156.297874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.297874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.297874 (E_RNA) where: Base-Base interactions energy: -94.751 where: short stacking energy: -61.220 Base-Backbone interact. energy: -0.000 local terms energy: -61.546204 where: bonds (distance) C4'-P energy: -11.158 bonds (distance) P-C4' energy: -12.806 flat angles C4'-P-C4' energy: -13.683 flat angles P-C4'-P energy: -8.994 tors. eta vs tors. theta energy: -14.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -136.741139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.741139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.741139 (E_RNA) where: Base-Base interactions energy: -77.466 where: short stacking energy: -47.087 Base-Backbone interact. energy: -0.075 local terms energy: -59.200350 where: bonds (distance) C4'-P energy: -10.952 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -14.717 flat angles P-C4'-P energy: -8.767 tors. eta vs tors. theta energy: -10.301 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: 10 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -126.863317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.863317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.863317 (E_RNA) where: Base-Base interactions energy: -75.595 where: short stacking energy: -41.449 Base-Backbone interact. energy: -0.166 local terms energy: -51.102349 where: bonds (distance) C4'-P energy: -12.497 bonds (distance) P-C4' energy: -13.298 flat angles C4'-P-C4' energy: -9.894 flat angles P-C4'-P energy: -8.458 tors. eta vs tors. theta energy: -6.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -134.843769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.843769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.843769 (E_RNA) where: Base-Base interactions energy: -80.355 where: short stacking energy: -53.522 Base-Backbone interact. energy: -0.101 local terms energy: -54.387950 where: bonds (distance) C4'-P energy: -12.265 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -14.177 flat angles P-C4'-P energy: -3.379 tors. eta vs tors. theta energy: -11.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -92.644800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.644800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.644800 (E_RNA) where: Base-Base interactions energy: -37.923 where: short stacking energy: -37.721 Base-Backbone interact. energy: -0.280 local terms energy: -54.442062 where: bonds (distance) C4'-P energy: -12.016 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -11.107 flat angles P-C4'-P energy: -10.308 tors. eta vs tors. theta energy: -5.706 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: 5 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -89.742225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.742225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.742225 (E_RNA) where: Base-Base interactions energy: -40.184 where: short stacking energy: -39.883 Base-Backbone interact. energy: -0.006 local terms energy: -49.552593 where: bonds (distance) C4'-P energy: -13.068 bonds (distance) P-C4' energy: -12.250 flat angles C4'-P-C4' energy: -13.173 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -6.829 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: 350 Temperature: 1.250000 Total energy: -87.947821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.947821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.947821 (E_RNA) where: Base-Base interactions energy: -41.150 where: short stacking energy: -41.150 Base-Backbone interact. energy: -0.101 local terms energy: -46.696830 where: bonds (distance) C4'-P energy: -11.382 bonds (distance) P-C4' energy: -9.609 flat angles C4'-P-C4' energy: -13.019 flat angles P-C4'-P energy: -6.984 tors. eta vs tors. theta energy: -5.703 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: 9, replica: 6 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -75.126888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.126888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.126888 (E_RNA) where: Base-Base interactions energy: -31.678 where: short stacking energy: -31.678 Base-Backbone interact. energy: -0.057 local terms energy: -43.392437 where: bonds (distance) C4'-P energy: -12.885 bonds (distance) P-C4' energy: -13.155 flat angles C4'-P-C4' energy: -9.642 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -3.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -71.227485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.227485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.227485 (E_RNA) where: Base-Base interactions energy: -28.892 where: short stacking energy: -17.607 Base-Backbone interact. energy: -0.178 local terms energy: -42.157590 where: bonds (distance) C4'-P energy: -11.566 bonds (distance) P-C4' energy: -11.602 flat angles C4'-P-C4' energy: -10.097 flat angles P-C4'-P energy: -6.619 tors. eta vs tors. theta energy: -2.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -149.777509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.777509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.777509 (E_RNA) where: Base-Base interactions energy: -91.047 where: short stacking energy: -52.940 Base-Backbone interact. energy: -0.005 local terms energy: -58.725524 where: bonds (distance) C4'-P energy: -14.280 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -13.013 flat angles P-C4'-P energy: -7.342 tors. eta vs tors. theta energy: -9.406 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: 4 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -147.837290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.837290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.837290 (E_RNA) where: Base-Base interactions energy: -84.124 where: short stacking energy: -52.929 Base-Backbone interact. energy: -0.000 local terms energy: -63.712663 where: bonds (distance) C4'-P energy: -11.900 bonds (distance) P-C4' energy: -15.316 flat angles C4'-P-C4' energy: -12.121 flat angles P-C4'-P energy: -11.310 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: 1 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -140.455143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.455143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.455143 (E_RNA) where: Base-Base interactions energy: -84.614 where: short stacking energy: -52.277 Base-Backbone interact. energy: -0.222 local terms energy: -55.619899 where: bonds (distance) C4'-P energy: -9.329 bonds (distance) P-C4' energy: -12.569 flat angles C4'-P-C4' energy: -13.782 flat angles P-C4'-P energy: -10.294 tors. eta vs tors. theta energy: -9.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -145.416267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.416267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.416267 (E_RNA) where: Base-Base interactions energy: -88.897 where: short stacking energy: -59.692 Base-Backbone interact. energy: -1.303 local terms energy: -55.216473 where: bonds (distance) C4'-P energy: -12.133 bonds (distance) P-C4' energy: -14.997 flat angles C4'-P-C4' energy: -10.849 flat angles P-C4'-P energy: -7.101 tors. eta vs tors. theta energy: -10.137 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: 5, replica: 3 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -129.437915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.437915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.437915 (E_RNA) where: Base-Base interactions energy: -71.865 where: short stacking energy: -42.491 Base-Backbone interact. energy: -0.241 local terms energy: -57.332711 where: bonds (distance) C4'-P energy: -12.873 bonds (distance) P-C4' energy: -13.379 flat angles C4'-P-C4' energy: -11.527 flat angles P-C4'-P energy: -8.121 tors. eta vs tors. theta energy: -11.433 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: 6, replica: 5 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -95.751256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.751256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.751256 (E_RNA) where: Base-Base interactions energy: -43.559 where: short stacking energy: -43.559 Base-Backbone interact. energy: -0.008 local terms energy: -52.184606 where: bonds (distance) C4'-P energy: -11.788 bonds (distance) P-C4' energy: -12.422 flat angles C4'-P-C4' energy: -12.640 flat angles P-C4'-P energy: -9.738 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: 7, replica: 2 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -87.702890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.702890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.702890 (E_RNA) where: Base-Base interactions energy: -41.085 where: short stacking energy: -41.085 Base-Backbone interact. energy: -0.103 local terms energy: -46.515240 where: bonds (distance) C4'-P energy: -12.727 bonds (distance) P-C4' energy: -8.056 flat angles C4'-P-C4' energy: -10.270 flat angles P-C4'-P energy: -7.087 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: 8, replica: 6 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -81.365509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.365509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.365509 (E_RNA) where: Base-Base interactions energy: -33.218 where: short stacking energy: -32.067 Base-Backbone interact. energy: -0.002 local terms energy: -48.145859 where: bonds (distance) C4'-P energy: -11.130 bonds (distance) P-C4' energy: -10.508 flat angles C4'-P-C4' energy: -12.439 flat angles P-C4'-P energy: -9.093 tors. eta vs tors. theta energy: -4.977 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: 9 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -79.107849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.107849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.107849 (E_RNA) where: Base-Base interactions energy: -30.650 where: short stacking energy: -30.650 Base-Backbone interact. energy: -0.089 local terms energy: -48.368350 where: bonds (distance) C4'-P energy: -8.135 bonds (distance) P-C4' energy: -10.790 flat angles C4'-P-C4' energy: -10.709 flat angles P-C4'-P energy: -12.005 tors. eta vs tors. theta energy: -6.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -100.671417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.671417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.671417 (E_RNA) where: Base-Base interactions energy: -66.643 where: short stacking energy: -35.489 Base-Backbone interact. energy: -0.140 local terms energy: -33.887933 where: bonds (distance) C4'-P energy: -8.064 bonds (distance) P-C4' energy: -10.759 flat angles C4'-P-C4' energy: -8.218 flat angles P-C4'-P energy: -1.258 tors. eta vs tors. theta energy: -5.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -162.147875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.147875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.147875 (E_RNA) where: Base-Base interactions energy: -104.504 where: short stacking energy: -63.791 Base-Backbone interact. energy: -0.075 local terms energy: -57.569032 where: bonds (distance) C4'-P energy: -11.802 bonds (distance) P-C4' energy: -12.691 flat angles C4'-P-C4' energy: -13.361 flat angles P-C4'-P energy: -6.738 tors. eta vs tors. theta energy: -12.978 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: 2, replica: 4 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -149.268397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.268397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.268397 (E_RNA) where: Base-Base interactions energy: -82.866 where: short stacking energy: -61.291 Base-Backbone interact. energy: -0.018 local terms energy: -66.383791 where: bonds (distance) C4'-P energy: -12.463 bonds (distance) P-C4' energy: -15.508 flat angles C4'-P-C4' energy: -13.584 flat angles P-C4'-P energy: -8.489 tors. eta vs tors. theta energy: -16.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -145.786194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.786194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.786194 (E_RNA) where: Base-Base interactions energy: -92.815 where: short stacking energy: -61.176 Base-Backbone interact. energy: -0.023 local terms energy: -52.948379 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -12.200 flat angles C4'-P-C4' energy: -14.014 flat angles P-C4'-P energy: -9.225 tors. eta vs tors. theta energy: -9.442 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: 1 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -137.144890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.144890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.144890 (E_RNA) where: Base-Base interactions energy: -81.146 where: short stacking energy: -52.769 Base-Backbone interact. energy: -0.108 local terms energy: -55.891304 where: bonds (distance) C4'-P energy: -11.092 bonds (distance) P-C4' energy: -13.519 flat angles C4'-P-C4' energy: -13.008 flat angles P-C4'-P energy: -8.012 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: 3 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -143.456489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.456489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.456489 (E_RNA) where: Base-Base interactions energy: -84.131 where: short stacking energy: -51.219 Base-Backbone interact. energy: -0.087 local terms energy: -59.238864 where: bonds (distance) C4'-P energy: -14.594 bonds (distance) P-C4' energy: -8.147 flat angles C4'-P-C4' energy: -14.378 flat angles P-C4'-P energy: -9.688 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: 5 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -106.294478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.294478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.294478 (E_RNA) where: Base-Base interactions energy: -44.271 where: short stacking energy: -44.271 Base-Backbone interact. energy: -0.006 local terms energy: -62.016808 where: bonds (distance) C4'-P energy: -14.993 bonds (distance) P-C4' energy: -15.643 flat angles C4'-P-C4' energy: -12.331 flat angles P-C4'-P energy: -8.714 tors. eta vs tors. theta energy: -10.336 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: 2 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -94.593526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.593526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.593526 (E_RNA) where: Base-Base interactions energy: -41.536 where: short stacking energy: -41.536 Base-Backbone interact. energy: 0.541 local terms energy: -53.599031 where: bonds (distance) C4'-P energy: -11.052 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -9.315 flat angles P-C4'-P energy: -7.593 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: 6 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -117.545312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.545312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.545312 (E_RNA) where: Base-Base interactions energy: -65.631 where: short stacking energy: -35.552 Base-Backbone interact. energy: -0.396 local terms energy: -51.517940 where: bonds (distance) C4'-P energy: -8.492 bonds (distance) P-C4' energy: -14.973 flat angles C4'-P-C4' energy: -9.604 flat angles P-C4'-P energy: -9.842 tors. eta vs tors. theta energy: -8.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -84.812113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.812113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.812113 (E_RNA) where: Base-Base interactions energy: -37.223 where: short stacking energy: -34.241 Base-Backbone interact. energy: -0.020 local terms energy: -47.569014 where: bonds (distance) C4'-P energy: -10.608 bonds (distance) P-C4' energy: -12.342 flat angles C4'-P-C4' energy: -10.928 flat angles P-C4'-P energy: -10.274 tors. eta vs tors. theta energy: -3.418 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: 9 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -73.574136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.574136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.574136 (E_RNA) where: Base-Base interactions energy: -32.112 where: short stacking energy: -23.086 Base-Backbone interact. energy: -0.246 local terms energy: -41.215844 where: bonds (distance) C4'-P energy: -11.570 bonds (distance) P-C4' energy: -11.528 flat angles C4'-P-C4' energy: -8.400 flat angles P-C4'-P energy: -6.937 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: 1, replica: 7 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -175.087940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.087940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.087940 (E_RNA) where: Base-Base interactions energy: -115.824 where: short stacking energy: -55.615 Base-Backbone interact. energy: -0.177 local terms energy: -59.087446 where: bonds (distance) C4'-P energy: -10.178 bonds (distance) P-C4' energy: -12.279 flat angles C4'-P-C4' energy: -14.486 flat angles P-C4'-P energy: -8.497 tors. eta vs tors. theta energy: -13.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -147.336078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.336078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.336078 (E_RNA) where: Base-Base interactions energy: -94.295 where: short stacking energy: -56.736 Base-Backbone interact. energy: -0.324 local terms energy: -52.716685 where: bonds (distance) C4'-P energy: -13.409 bonds (distance) P-C4' energy: -9.870 flat angles C4'-P-C4' energy: -11.968 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: -13.569 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: 353 Temperature: 1.000000 Total energy: -137.004104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.004104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.004104 (E_RNA) where: Base-Base interactions energy: -82.376 where: short stacking energy: -52.363 Base-Backbone interact. energy: -0.028 local terms energy: -54.600712 where: bonds (distance) C4'-P energy: -10.758 bonds (distance) P-C4' energy: -11.488 flat angles C4'-P-C4' energy: -13.287 flat angles P-C4'-P energy: -7.143 tors. eta vs tors. theta energy: -11.925 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: 3 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -142.266610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.266610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.266610 (E_RNA) where: Base-Base interactions energy: -81.779 where: short stacking energy: -47.060 Base-Backbone interact. energy: -0.167 local terms energy: -60.321391 where: bonds (distance) C4'-P energy: -12.940 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -14.299 flat angles P-C4'-P energy: -9.925 tors. eta vs tors. theta energy: -8.319 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: 5, replica: 1 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -129.478230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.478230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.478230 (E_RNA) where: Base-Base interactions energy: -75.103 where: short stacking energy: -51.264 Base-Backbone interact. energy: -0.000 local terms energy: -54.375316 where: bonds (distance) C4'-P energy: -8.509 bonds (distance) P-C4' energy: -11.839 flat angles C4'-P-C4' energy: -14.191 flat angles P-C4'-P energy: -7.972 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: 6, replica: 2 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -89.826879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.826879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.826879 (E_RNA) where: Base-Base interactions energy: -37.725 where: short stacking energy: -37.725 Base-Backbone interact. energy: -0.076 local terms energy: -52.026154 where: bonds (distance) C4'-P energy: -14.376 bonds (distance) P-C4' energy: -14.171 flat angles C4'-P-C4' energy: -10.714 flat angles P-C4'-P energy: -5.030 tors. eta vs tors. theta energy: -7.735 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: 5 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -92.319759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.319759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.319759 (E_RNA) where: Base-Base interactions energy: -44.644 where: short stacking energy: -34.063 Base-Backbone interact. energy: -0.018 local terms energy: -47.657472 where: bonds (distance) C4'-P energy: -13.338 bonds (distance) P-C4' energy: -11.126 flat angles C4'-P-C4' energy: -9.596 flat angles P-C4'-P energy: -7.371 tors. eta vs tors. theta energy: -6.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -125.803823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.803823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.803823 (E_RNA) where: Base-Base interactions energy: -66.946 where: short stacking energy: -43.196 Base-Backbone interact. energy: -0.323 local terms energy: -58.534214 where: bonds (distance) C4'-P energy: -12.649 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -12.373 flat angles P-C4'-P energy: -9.430 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: 9, replica: 8 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -71.234156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.234156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.234156 (E_RNA) where: Base-Base interactions energy: -30.677 where: short stacking energy: -30.351 Base-Backbone interact. energy: -0.069 local terms energy: -40.487404 where: bonds (distance) C4'-P energy: -6.347 bonds (distance) P-C4' energy: -10.650 flat angles C4'-P-C4' energy: -14.093 flat angles P-C4'-P energy: -7.602 tors. eta vs tors. theta energy: -1.795 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: 9 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -73.321202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.321202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.321202 (E_RNA) where: Base-Base interactions energy: -33.753 where: short stacking energy: -33.753 Base-Backbone interact. energy: -0.017 local terms energy: -39.551224 where: bonds (distance) C4'-P energy: -11.904 bonds (distance) P-C4' energy: -9.606 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -7.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -161.300517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.300517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.300517 (E_RNA) where: Base-Base interactions energy: -101.174 where: short stacking energy: -45.215 Base-Backbone interact. energy: 0.173 local terms energy: -60.299562 where: bonds (distance) C4'-P energy: -10.251 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -13.850 flat angles P-C4'-P energy: -9.731 tors. eta vs tors. theta energy: -10.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -140.982892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.982892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.982892 (E_RNA) where: Base-Base interactions energy: -84.208 where: short stacking energy: -44.957 Base-Backbone interact. energy: -0.247 local terms energy: -56.527990 where: bonds (distance) C4'-P energy: -11.795 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -11.928 flat angles P-C4'-P energy: -10.411 tors. eta vs tors. theta energy: -8.639 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: 354 Temperature: 1.000000 Total energy: -150.494475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.494475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.494475 (E_RNA) where: Base-Base interactions energy: -85.469 where: short stacking energy: -48.632 Base-Backbone interact. energy: 0.012 local terms energy: -65.037003 where: bonds (distance) C4'-P energy: -13.197 bonds (distance) P-C4' energy: -15.421 flat angles C4'-P-C4' energy: -11.107 flat angles P-C4'-P energy: -8.635 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: 4, replica: 4 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -140.842851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.842851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.842851 (E_RNA) where: Base-Base interactions energy: -80.475 where: short stacking energy: -47.752 Base-Backbone interact. energy: -0.031 local terms energy: -60.336377 where: bonds (distance) C4'-P energy: -13.531 bonds (distance) P-C4' energy: -14.599 flat angles C4'-P-C4' energy: -12.412 flat angles P-C4'-P energy: -9.310 tors. eta vs tors. theta energy: -10.484 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: 1 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -130.768415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.768415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.768415 (E_RNA) where: Base-Base interactions energy: -77.902 where: short stacking energy: -45.458 Base-Backbone interact. energy: -0.070 local terms energy: -52.796410 where: bonds (distance) C4'-P energy: -9.274 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -9.425 flat angles P-C4'-P energy: -7.415 tors. eta vs tors. theta energy: -11.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -88.642352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.642352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.642352 (E_RNA) where: Base-Base interactions energy: -40.886 where: short stacking energy: -40.886 Base-Backbone interact. energy: 0.462 local terms energy: -48.218781 where: bonds (distance) C4'-P energy: -13.142 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -10.347 flat angles P-C4'-P energy: -7.033 tors. eta vs tors. theta energy: -8.860 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: 7, replica: 6 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -123.063254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.063254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.063254 (E_RNA) where: Base-Base interactions energy: -67.841 where: short stacking energy: -37.376 Base-Backbone interact. energy: -0.504 local terms energy: -54.717355 where: bonds (distance) C4'-P energy: -15.791 bonds (distance) P-C4' energy: -12.972 flat angles C4'-P-C4' energy: -10.762 flat angles P-C4'-P energy: -8.104 tors. eta vs tors. theta energy: -7.089 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: 5 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -85.594548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.594548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.594548 (E_RNA) where: Base-Base interactions energy: -44.335 where: short stacking energy: -35.008 Base-Backbone interact. energy: -0.064 local terms energy: -41.195737 where: bonds (distance) C4'-P energy: -8.832 bonds (distance) P-C4' energy: -9.680 flat angles C4'-P-C4' energy: -11.158 flat angles P-C4'-P energy: -8.572 tors. eta vs tors. theta energy: -2.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -74.996630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.996630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.996630 (E_RNA) where: Base-Base interactions energy: -32.792 where: short stacking energy: -31.033 Base-Backbone interact. energy: 1.221 local terms energy: -43.425710 where: bonds (distance) C4'-P energy: -2.785 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -13.388 flat angles P-C4'-P energy: -6.040 tors. eta vs tors. theta energy: -6.836 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: 8 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -72.511417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.511417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.511417 (E_RNA) where: Base-Base interactions energy: -35.079 where: short stacking energy: -28.905 Base-Backbone interact. energy: 2.667 local terms energy: -40.099855 where: bonds (distance) C4'-P energy: -13.117 bonds (distance) P-C4' energy: -12.311 flat angles C4'-P-C4' energy: -9.906 flat angles P-C4'-P energy: -5.266 tors. eta vs tors. theta energy: 0.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -153.286905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.286905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.286905 (E_RNA) where: Base-Base interactions energy: -93.839 where: short stacking energy: -60.322 Base-Backbone interact. energy: -0.690 local terms energy: -58.758111 where: bonds (distance) C4'-P energy: -10.496 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -9.936 flat angles P-C4'-P energy: -8.804 tors. eta vs tors. theta energy: -13.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -159.400807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.400807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.400807 (E_RNA) where: Base-Base interactions energy: -94.876 where: short stacking energy: -64.005 Base-Backbone interact. energy: -0.001 local terms energy: -64.523512 where: bonds (distance) C4'-P energy: -9.423 bonds (distance) P-C4' energy: -13.000 flat angles C4'-P-C4' energy: -13.683 flat angles P-C4'-P energy: -10.637 tors. eta vs tors. theta energy: -17.780 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: 3, replica: 10 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -135.020970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.020970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.020970 (E_RNA) where: Base-Base interactions energy: -84.863 where: short stacking energy: -47.478 Base-Backbone interact. energy: -0.193 local terms energy: -49.964847 where: bonds (distance) C4'-P energy: -12.572 bonds (distance) P-C4' energy: -6.862 flat angles C4'-P-C4' energy: -15.449 flat angles P-C4'-P energy: -10.303 tors. eta vs tors. theta energy: -4.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -136.600844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.600844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.600844 (E_RNA) where: Base-Base interactions energy: -84.515 where: short stacking energy: -48.669 Base-Backbone interact. energy: -0.028 local terms energy: -52.057606 where: bonds (distance) C4'-P energy: -11.155 bonds (distance) P-C4' energy: -12.532 flat angles C4'-P-C4' energy: -8.828 flat angles P-C4'-P energy: -11.531 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: 5, replica: 4 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -121.802686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.802686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.802686 (E_RNA) where: Base-Base interactions energy: -67.258 where: short stacking energy: -46.979 Base-Backbone interact. energy: -0.688 local terms energy: -53.856161 where: bonds (distance) C4'-P energy: -11.030 bonds (distance) P-C4' energy: -11.899 flat angles C4'-P-C4' energy: -13.382 flat angles P-C4'-P energy: -7.414 tors. eta vs tors. theta energy: -10.131 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: 6 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -120.029004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.029004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.029004 (E_RNA) where: Base-Base interactions energy: -69.995 where: short stacking energy: -37.509 Base-Backbone interact. energy: -0.022 local terms energy: -50.012553 where: bonds (distance) C4'-P energy: -12.586 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -13.731 flat angles P-C4'-P energy: -5.976 tors. eta vs tors. theta energy: -9.716 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: 2 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -95.601225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.601225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.601225 (E_RNA) where: Base-Base interactions energy: -44.454 where: short stacking energy: -44.454 Base-Backbone interact. energy: -0.007 local terms energy: -51.140062 where: bonds (distance) C4'-P energy: -12.463 bonds (distance) P-C4' energy: -9.014 flat angles C4'-P-C4' energy: -12.849 flat angles P-C4'-P energy: -5.889 tors. eta vs tors. theta energy: -10.925 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: 8, replica: 9 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -82.882473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.882473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.882473 (E_RNA) where: Base-Base interactions energy: -39.782 where: short stacking energy: -30.295 Base-Backbone interact. energy: -0.115 local terms energy: -42.984936 where: bonds (distance) C4'-P energy: -10.584 bonds (distance) P-C4' energy: -9.929 flat angles C4'-P-C4' energy: -12.875 flat angles P-C4'-P energy: -11.761 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: 5 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -77.000142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.000142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.000142 (E_RNA) where: Base-Base interactions energy: -29.954 where: short stacking energy: -24.104 Base-Backbone interact. energy: -0.374 local terms energy: -46.671696 where: bonds (distance) C4'-P energy: -10.450 bonds (distance) P-C4' energy: -15.731 flat angles C4'-P-C4' energy: -8.947 flat angles P-C4'-P energy: -10.639 tors. eta vs tors. theta energy: -0.905 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: 355 Temperature: 1.350000 Total energy: -77.443814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.443814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.443814 (E_RNA) where: Base-Base interactions energy: -37.832 where: short stacking energy: -37.832 Base-Backbone interact. energy: -0.126 local terms energy: -39.486164 where: bonds (distance) C4'-P energy: -10.000 bonds (distance) P-C4' energy: -9.722 flat angles C4'-P-C4' energy: -7.280 flat angles P-C4'-P energy: -2.215 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: 1, replica: 3 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -160.026485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.026485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.026485 (E_RNA) where: Base-Base interactions energy: -94.344 where: short stacking energy: -64.463 Base-Backbone interact. energy: -0.061 local terms energy: -65.621797 where: bonds (distance) C4'-P energy: -11.668 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -13.000 flat angles P-C4'-P energy: -7.747 tors. eta vs tors. theta energy: -17.874 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: 2, replica: 7 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -152.353519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.353519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.353519 (E_RNA) where: Base-Base interactions energy: -92.039 where: short stacking energy: -58.473 Base-Backbone interact. energy: -0.342 local terms energy: -59.972036 where: bonds (distance) C4'-P energy: -11.928 bonds (distance) P-C4' energy: -12.281 flat angles C4'-P-C4' energy: -13.609 flat angles P-C4'-P energy: -10.007 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: 10 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -145.995642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.995642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.995642 (E_RNA) where: Base-Base interactions energy: -83.212 where: short stacking energy: -51.915 Base-Backbone interact. energy: -0.573 local terms energy: -62.210493 where: bonds (distance) C4'-P energy: -13.916 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -9.793 flat angles P-C4'-P energy: -9.333 tors. eta vs tors. theta energy: -13.181 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: 1 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -133.793461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.793461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.793461 (E_RNA) where: Base-Base interactions energy: -73.197 where: short stacking energy: -48.098 Base-Backbone interact. energy: -0.304 local terms energy: -60.292725 where: bonds (distance) C4'-P energy: -12.691 bonds (distance) P-C4' energy: -13.814 flat angles C4'-P-C4' energy: -13.081 flat angles P-C4'-P energy: -8.640 tors. eta vs tors. theta energy: -12.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -129.945432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.945432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.945432 (E_RNA) where: Base-Base interactions energy: -74.949 where: short stacking energy: -47.359 Base-Backbone interact. energy: 0.605 local terms energy: -55.601554 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -16.708 flat angles C4'-P-C4' energy: -13.124 flat angles P-C4'-P energy: -6.672 tors. eta vs tors. theta energy: -12.663 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: 4 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -124.468423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.468423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.468423 (E_RNA) where: Base-Base interactions energy: -73.287 where: short stacking energy: -35.272 Base-Backbone interact. energy: -0.178 local terms energy: -51.002906 where: bonds (distance) C4'-P energy: -9.433 bonds (distance) P-C4' energy: -10.907 flat angles C4'-P-C4' energy: -12.806 flat angles P-C4'-P energy: -8.004 tors. eta vs tors. theta energy: -9.853 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: 2 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -88.072754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.072754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.072754 (E_RNA) where: Base-Base interactions energy: -43.985 where: short stacking energy: -40.887 Base-Backbone interact. energy: -0.141 local terms energy: -43.946994 where: bonds (distance) C4'-P energy: -12.902 bonds (distance) P-C4' energy: -13.017 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: -6.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -74.852455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.852455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.852455 (E_RNA) where: Base-Base interactions energy: -28.813 where: short stacking energy: -24.691 Base-Backbone interact. energy: -0.387 local terms energy: -45.651739 where: bonds (distance) C4'-P energy: -6.696 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -13.143 flat angles P-C4'-P energy: -8.978 tors. eta vs tors. theta energy: -1.154 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: 9, replica: 5 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -82.521418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.521418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.521418 (E_RNA) where: Base-Base interactions energy: -37.609 where: short stacking energy: -38.509 Base-Backbone interact. energy: -0.123 local terms energy: -44.790069 where: bonds (distance) C4'-P energy: -9.363 bonds (distance) P-C4' energy: -10.436 flat angles C4'-P-C4' energy: -11.433 flat angles P-C4'-P energy: -8.058 tors. eta vs tors. theta energy: -5.501 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: 356 Temperature: 1.350000 Total energy: -83.123613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.123613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.123613 (E_RNA) where: Base-Base interactions energy: -43.873 where: short stacking energy: -35.206 Base-Backbone interact. energy: -0.479 local terms energy: -38.771150 where: bonds (distance) C4'-P energy: -10.141 bonds (distance) P-C4' energy: -11.501 flat angles C4'-P-C4' energy: -7.488 flat angles P-C4'-P energy: -5.967 tors. eta vs tors. theta energy: -3.674 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: 3 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -155.093582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.093582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.093582 (E_RNA) where: Base-Base interactions energy: -95.274 where: short stacking energy: -58.665 Base-Backbone interact. energy: -0.012 local terms energy: -59.808313 where: bonds (distance) C4'-P energy: -12.305 bonds (distance) P-C4' energy: -14.474 flat angles C4'-P-C4' energy: -14.707 flat angles P-C4'-P energy: -5.135 tors. eta vs tors. theta energy: -13.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -144.051708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.051708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.051708 (E_RNA) where: Base-Base interactions energy: -81.821 where: short stacking energy: -46.565 Base-Backbone interact. energy: -0.017 local terms energy: -62.213742 where: bonds (distance) C4'-P energy: -9.117 bonds (distance) P-C4' energy: -14.575 flat angles C4'-P-C4' energy: -13.546 flat angles P-C4'-P energy: -10.993 tors. eta vs tors. theta energy: -13.983 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: 7 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -148.780515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.780515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.780515 (E_RNA) where: Base-Base interactions energy: -83.075 where: short stacking energy: -47.700 Base-Backbone interact. energy: -0.680 local terms energy: -65.025525 where: bonds (distance) C4'-P energy: -11.253 bonds (distance) P-C4' energy: -14.911 flat angles C4'-P-C4' energy: -14.335 flat angles P-C4'-P energy: -10.787 tors. eta vs tors. theta energy: -13.739 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: 1 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -145.169931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.169931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.169931 (E_RNA) where: Base-Base interactions energy: -88.630 where: short stacking energy: -60.449 Base-Backbone interact. energy: -0.001 local terms energy: -56.538465 where: bonds (distance) C4'-P energy: -14.764 bonds (distance) P-C4' energy: -11.753 flat angles C4'-P-C4' energy: -8.965 flat angles P-C4'-P energy: -8.720 tors. eta vs tors. theta energy: -12.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -138.792751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.792751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.792751 (E_RNA) where: Base-Base interactions energy: -85.988 where: short stacking energy: -50.052 Base-Backbone interact. energy: -0.399 local terms energy: -52.405886 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -12.097 flat angles C4'-P-C4' energy: -10.966 flat angles P-C4'-P energy: -9.795 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: 6, replica: 4 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -142.047081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.047081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.047081 (E_RNA) where: Base-Base interactions energy: -86.341 where: short stacking energy: -51.731 Base-Backbone interact. energy: -0.553 local terms energy: -55.152695 where: bonds (distance) C4'-P energy: -13.713 bonds (distance) P-C4' energy: -13.098 flat angles C4'-P-C4' energy: -12.638 flat angles P-C4'-P energy: -2.709 tors. eta vs tors. theta energy: -12.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -96.328839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.328839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.328839 (E_RNA) where: Base-Base interactions energy: -40.780 where: short stacking energy: -40.842 Base-Backbone interact. energy: -0.531 local terms energy: -55.018147 where: bonds (distance) C4'-P energy: -13.130 bonds (distance) P-C4' energy: -16.224 flat angles C4'-P-C4' energy: -12.054 flat angles P-C4'-P energy: -5.022 tors. eta vs tors. theta energy: -8.589 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: 9 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -80.756905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.756905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.756905 (E_RNA) where: Base-Base interactions energy: -41.924 where: short stacking energy: -18.275 Base-Backbone interact. energy: -0.501 local terms energy: -38.331934 where: bonds (distance) C4'-P energy: -14.074 bonds (distance) P-C4' energy: -12.952 flat angles C4'-P-C4' energy: -10.396 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: 4.184 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: 357 Temperature: 1.300000 Total energy: -93.445814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.445814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.445814 (E_RNA) where: Base-Base interactions energy: -46.371 where: short stacking energy: -45.649 Base-Backbone interact. energy: 0.822 local terms energy: -47.897128 where: bonds (distance) C4'-P energy: -6.920 bonds (distance) P-C4' energy: -12.365 flat angles C4'-P-C4' energy: -8.123 flat angles P-C4'-P energy: -8.578 tors. eta vs tors. theta energy: -11.910 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: 8 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -73.117976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.117976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.117976 (E_RNA) where: Base-Base interactions energy: -26.539 where: short stacking energy: -25.666 Base-Backbone interact. energy: -0.200 local terms energy: -46.378528 where: bonds (distance) C4'-P energy: -11.825 bonds (distance) P-C4' energy: -12.006 flat angles C4'-P-C4' energy: -10.024 flat angles P-C4'-P energy: -7.017 tors. eta vs tors. theta energy: -5.506 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: 3 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -163.011891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.011891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.011891 (E_RNA) where: Base-Base interactions energy: -97.430 where: short stacking energy: -63.630 Base-Backbone interact. energy: 2.788 local terms energy: -68.369928 where: bonds (distance) C4'-P energy: -13.311 bonds (distance) P-C4' energy: -15.998 flat angles C4'-P-C4' energy: -13.414 flat angles P-C4'-P energy: -9.992 tors. eta vs tors. theta energy: -15.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -148.670297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.670297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.670297 (E_RNA) where: Base-Base interactions energy: -90.901 where: short stacking energy: -60.207 Base-Backbone interact. energy: -0.001 local terms energy: -57.768620 where: bonds (distance) C4'-P energy: -12.844 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -8.145 flat angles P-C4'-P energy: -7.228 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: 3, replica: 7 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -157.274498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.274498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.274498 (E_RNA) where: Base-Base interactions energy: -97.471 where: short stacking energy: -60.074 Base-Backbone interact. energy: -0.006 local terms energy: -59.797096 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -13.004 flat angles C4'-P-C4' energy: -11.589 flat angles P-C4'-P energy: -11.569 tors. eta vs tors. theta energy: -14.847 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: 1 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -139.101936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.101936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.101936 (E_RNA) where: Base-Base interactions energy: -87.048 where: short stacking energy: -53.093 Base-Backbone interact. energy: -0.713 local terms energy: -51.340835 where: bonds (distance) C4'-P energy: -10.485 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -10.757 flat angles P-C4'-P energy: -9.953 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: 4 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -142.052471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.052471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.052471 (E_RNA) where: Base-Base interactions energy: -86.636 where: short stacking energy: -57.441 Base-Backbone interact. energy: -0.000 local terms energy: -55.416368 where: bonds (distance) C4'-P energy: -14.318 bonds (distance) P-C4' energy: -7.201 flat angles C4'-P-C4' energy: -7.267 flat angles P-C4'-P energy: -11.207 tors. eta vs tors. theta energy: -15.423 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: 6 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -129.432421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.432421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.432421 (E_RNA) where: Base-Base interactions energy: -82.403 where: short stacking energy: -48.331 Base-Backbone interact. energy: -0.232 local terms energy: -46.797631 where: bonds (distance) C4'-P energy: -8.109 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -14.206 flat angles P-C4'-P energy: -7.082 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: 7, replica: 9 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -83.239103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.239103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.239103 (E_RNA) where: Base-Base interactions energy: -37.164 where: short stacking energy: -31.529 Base-Backbone interact. energy: -0.257 local terms energy: -45.817565 where: bonds (distance) C4'-P energy: -12.064 bonds (distance) P-C4' energy: -14.914 flat angles C4'-P-C4' energy: -8.298 flat angles P-C4'-P energy: -8.727 tors. eta vs tors. theta energy: -1.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -90.175990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.175990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.175990 (E_RNA) where: Base-Base interactions energy: -41.623 where: short stacking energy: -41.623 Base-Backbone interact. energy: -0.061 local terms energy: -48.491527 where: bonds (distance) C4'-P energy: -11.378 bonds (distance) P-C4' energy: -9.852 flat angles C4'-P-C4' energy: -12.950 flat angles P-C4'-P energy: -7.053 tors. eta vs tors. theta energy: -7.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -84.400265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.400265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.400265 (E_RNA) where: Base-Base interactions energy: -35.061 where: short stacking energy: -35.061 Base-Backbone interact. energy: -0.331 local terms energy: -49.008215 where: bonds (distance) C4'-P energy: -8.778 bonds (distance) P-C4' energy: -15.261 flat angles C4'-P-C4' energy: -6.615 flat angles P-C4'-P energy: -10.445 tors. eta vs tors. theta energy: -7.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -83.103011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.103011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.103011 (E_RNA) where: Base-Base interactions energy: -38.801 where: short stacking energy: -34.328 Base-Backbone interact. energy: -1.242 local terms energy: -43.060361 where: bonds (distance) C4'-P energy: -9.751 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -9.305 flat angles P-C4'-P energy: -5.643 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: 1, replica: 3 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -155.006134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.006134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.006134 (E_RNA) where: Base-Base interactions energy: -91.620 where: short stacking energy: -60.311 Base-Backbone interact. energy: -0.070 local terms energy: -63.317018 where: bonds (distance) C4'-P energy: -14.694 bonds (distance) P-C4' energy: -9.586 flat angles C4'-P-C4' energy: -12.097 flat angles P-C4'-P energy: -10.762 tors. eta vs tors. theta energy: -16.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -162.012654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.012654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.012654 (E_RNA) where: Base-Base interactions energy: -101.199 where: short stacking energy: -58.845 Base-Backbone interact. energy: 0.133 local terms energy: -60.946631 where: bonds (distance) C4'-P energy: -12.404 bonds (distance) P-C4' energy: -14.532 flat angles C4'-P-C4' energy: -15.097 flat angles P-C4'-P energy: -9.417 tors. eta vs tors. theta energy: -9.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -150.189245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.189245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.189245 (E_RNA) where: Base-Base interactions energy: -88.739 where: short stacking energy: -53.875 Base-Backbone interact. energy: -0.006 local terms energy: -61.444257 where: bonds (distance) C4'-P energy: -10.252 bonds (distance) P-C4' energy: -14.286 flat angles C4'-P-C4' energy: -12.361 flat angles P-C4'-P energy: -10.011 tors. eta vs tors. theta energy: -14.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -133.655272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.655272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.655272 (E_RNA) where: Base-Base interactions energy: -84.130 where: short stacking energy: -51.666 Base-Backbone interact. energy: -0.114 local terms energy: -49.411219 where: bonds (distance) C4'-P energy: -7.391 bonds (distance) P-C4' energy: -13.420 flat angles C4'-P-C4' energy: -14.589 flat angles P-C4'-P energy: -5.261 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: 5, replica: 1 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -143.524331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.524331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.524331 (E_RNA) where: Base-Base interactions energy: -82.404 where: short stacking energy: -42.111 Base-Backbone interact. energy: -0.036 local terms energy: -61.084690 where: bonds (distance) C4'-P energy: -10.461 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -13.194 flat angles P-C4'-P energy: -9.666 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: 6, replica: 6 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -136.436160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.436160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.436160 (E_RNA) where: Base-Base interactions energy: -76.813 where: short stacking energy: -47.056 Base-Backbone interact. energy: -0.118 local terms energy: -59.505236 where: bonds (distance) C4'-P energy: -11.299 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -14.349 flat angles P-C4'-P energy: -7.587 tors. eta vs tors. theta energy: -11.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -95.273431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.273431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.273431 (E_RNA) where: Base-Base interactions energy: -43.178 where: short stacking energy: -39.984 Base-Backbone interact. energy: -1.538 local terms energy: -50.556639 where: bonds (distance) C4'-P energy: -12.753 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -10.580 flat angles P-C4'-P energy: -7.104 tors. eta vs tors. theta energy: -5.527 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: 5 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -73.546298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.546298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.546298 (E_RNA) where: Base-Base interactions energy: -31.922 where: short stacking energy: -30.389 Base-Backbone interact. energy: -0.468 local terms energy: -41.156132 where: bonds (distance) C4'-P energy: -11.615 bonds (distance) P-C4' energy: -13.364 flat angles C4'-P-C4' energy: -9.943 flat angles P-C4'-P energy: -7.508 tors. eta vs tors. theta energy: 1.274 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: 2 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -84.037550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.037550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.037550 (E_RNA) where: Base-Base interactions energy: -36.159 where: short stacking energy: -36.159 Base-Backbone interact. energy: 0.622 local terms energy: -48.500962 where: bonds (distance) C4'-P energy: -12.981 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -10.909 flat angles P-C4'-P energy: -3.730 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: 10, replica: 8 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -75.844889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.844889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.844889 (E_RNA) where: Base-Base interactions energy: -30.917 where: short stacking energy: -24.668 Base-Backbone interact. energy: -0.014 local terms energy: -44.914326 where: bonds (distance) C4'-P energy: -8.037 bonds (distance) P-C4' energy: -14.078 flat angles C4'-P-C4' energy: -9.608 flat angles P-C4'-P energy: -8.423 tors. eta vs tors. theta energy: -4.769 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: 10 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -164.761742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.761742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.761742 (E_RNA) where: Base-Base interactions energy: -96.942 where: short stacking energy: -57.633 Base-Backbone interact. energy: 0.383 local terms energy: -68.202585 where: bonds (distance) C4'-P energy: -13.340 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -13.796 flat angles P-C4'-P energy: -12.491 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: 2, replica: 3 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -151.306489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.306489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.306489 (E_RNA) where: Base-Base interactions energy: -92.826 where: short stacking energy: -55.462 Base-Backbone interact. energy: -0.006 local terms energy: -58.475038 where: bonds (distance) C4'-P energy: -13.634 bonds (distance) P-C4' energy: -7.050 flat angles C4'-P-C4' energy: -14.593 flat angles P-C4'-P energy: -7.424 tors. eta vs tors. theta energy: -15.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -156.960166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.960166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.960166 (E_RNA) where: Base-Base interactions energy: -91.113 where: short stacking energy: -64.669 Base-Backbone interact. energy: -0.209 local terms energy: -65.638123 where: bonds (distance) C4'-P energy: -12.219 bonds (distance) P-C4' energy: -15.256 flat angles C4'-P-C4' energy: -15.800 flat angles P-C4'-P energy: -5.351 tors. eta vs tors. theta energy: -17.012 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: 4 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -151.892434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.892434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.892434 (E_RNA) where: Base-Base interactions energy: -97.948 where: short stacking energy: -62.150 Base-Backbone interact. energy: -0.009 local terms energy: -53.935516 where: bonds (distance) C4'-P energy: -9.022 bonds (distance) P-C4' energy: -13.126 flat angles C4'-P-C4' energy: -10.668 flat angles P-C4'-P energy: -5.785 tors. eta vs tors. theta energy: -15.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -151.603731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.603731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.603731 (E_RNA) where: Base-Base interactions energy: -91.992 where: short stacking energy: -57.208 Base-Backbone interact. energy: -0.144 local terms energy: -59.468177 where: bonds (distance) C4'-P energy: -12.593 bonds (distance) P-C4' energy: -13.422 flat angles C4'-P-C4' energy: -10.633 flat angles P-C4'-P energy: -10.943 tors. eta vs tors. theta energy: -11.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -129.308118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.308118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.308118 (E_RNA) where: Base-Base interactions energy: -69.611 where: short stacking energy: -45.480 Base-Backbone interact. energy: -0.001 local terms energy: -59.696384 where: bonds (distance) C4'-P energy: -12.309 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -9.606 flat angles P-C4'-P energy: -10.609 tors. eta vs tors. theta energy: -11.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -87.662363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.662363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.662363 (E_RNA) where: Base-Base interactions energy: -42.169 where: short stacking energy: -29.747 Base-Backbone interact. energy: -0.394 local terms energy: -45.099562 where: bonds (distance) C4'-P energy: -13.066 bonds (distance) P-C4' energy: -11.962 flat angles C4'-P-C4' energy: -6.429 flat angles P-C4'-P energy: -7.760 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: 8, replica: 5 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -77.527711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.527711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.527711 (E_RNA) where: Base-Base interactions energy: -31.483 where: short stacking energy: -24.049 Base-Backbone interact. energy: -0.096 local terms energy: -45.949172 where: bonds (distance) C4'-P energy: -11.635 bonds (distance) P-C4' energy: -11.374 flat angles C4'-P-C4' energy: -13.619 flat angles P-C4'-P energy: -6.726 tors. eta vs tors. theta energy: -2.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -71.554497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.554497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.554497 (E_RNA) where: Base-Base interactions energy: -36.053 where: short stacking energy: -24.669 Base-Backbone interact. energy: -0.109 local terms energy: -35.392428 where: bonds (distance) C4'-P energy: -3.179 bonds (distance) P-C4' energy: -14.152 flat angles C4'-P-C4' energy: -12.438 flat angles P-C4'-P energy: -6.996 tors. eta vs tors. theta energy: 1.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -75.625275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.625275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.625275 (E_RNA) where: Base-Base interactions energy: -38.797 where: short stacking energy: -36.016 Base-Backbone interact. energy: -0.099 local terms energy: -36.730105 where: bonds (distance) C4'-P energy: -6.584 bonds (distance) P-C4' energy: -11.428 flat angles C4'-P-C4' energy: -10.648 flat angles P-C4'-P energy: -2.240 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: 1, replica: 10 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -166.841360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.841360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.841360 (E_RNA) where: Base-Base interactions energy: -101.923 where: short stacking energy: -61.482 Base-Backbone interact. energy: -0.786 local terms energy: -64.132359 where: bonds (distance) C4'-P energy: -12.569 bonds (distance) P-C4' energy: -12.802 flat angles C4'-P-C4' energy: -16.250 flat angles P-C4'-P energy: -11.897 tors. eta vs tors. theta energy: -10.614 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: 7 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -165.009447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.009447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.009447 (E_RNA) where: Base-Base interactions energy: -99.412 where: short stacking energy: -58.442 Base-Backbone interact. energy: 0.215 local terms energy: -65.812719 where: bonds (distance) C4'-P energy: -13.983 bonds (distance) P-C4' energy: -13.634 flat angles C4'-P-C4' energy: -13.887 flat angles P-C4'-P energy: -10.406 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: 3, replica: 3 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -151.567094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.567094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.567094 (E_RNA) where: Base-Base interactions energy: -90.699 where: short stacking energy: -58.685 Base-Backbone interact. energy: 0.779 local terms energy: -61.646839 where: bonds (distance) C4'-P energy: -11.978 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -13.524 flat angles P-C4'-P energy: -11.152 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: 4, replica: 4 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -151.458325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.458325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.458325 (E_RNA) where: Base-Base interactions energy: -92.391 where: short stacking energy: -54.720 Base-Backbone interact. energy: -0.374 local terms energy: -58.692897 where: bonds (distance) C4'-P energy: -12.115 bonds (distance) P-C4' energy: -12.225 flat angles C4'-P-C4' energy: -14.673 flat angles P-C4'-P energy: -7.054 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: 5, replica: 6 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -138.482110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.482110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.482110 (E_RNA) where: Base-Base interactions energy: -83.583 where: short stacking energy: -52.443 Base-Backbone interact. energy: -0.701 local terms energy: -54.198284 where: bonds (distance) C4'-P energy: -12.045 bonds (distance) P-C4' energy: -9.105 flat angles C4'-P-C4' energy: -13.258 flat angles P-C4'-P energy: -8.614 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: 6, replica: 9 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -94.757672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.757672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.757672 (E_RNA) where: Base-Base interactions energy: -40.124 where: short stacking energy: -40.124 Base-Backbone interact. energy: -0.003 local terms energy: -54.630694 where: bonds (distance) C4'-P energy: -13.073 bonds (distance) P-C4' energy: -14.658 flat angles C4'-P-C4' energy: -9.068 flat angles P-C4'-P energy: -10.573 tors. eta vs tors. theta energy: -7.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -109.368398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.368398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.368398 (E_RNA) where: Base-Base interactions energy: -62.675 where: short stacking energy: -33.323 Base-Backbone interact. energy: -0.230 local terms energy: -46.463612 where: bonds (distance) C4'-P energy: -9.255 bonds (distance) P-C4' energy: -11.938 flat angles C4'-P-C4' energy: -11.932 flat angles P-C4'-P energy: -10.142 tors. eta vs tors. theta energy: -3.196 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: 8, replica: 8 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -92.127606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.127606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.127606 (E_RNA) where: Base-Base interactions energy: -40.720 where: short stacking energy: -37.111 Base-Backbone interact. energy: -0.013 local terms energy: -51.394199 where: bonds (distance) C4'-P energy: -14.611 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -11.964 flat angles P-C4'-P energy: -6.741 tors. eta vs tors. theta energy: -2.791 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: 9, replica: 5 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -80.810750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.810750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.810750 (E_RNA) where: Base-Base interactions energy: -39.716 where: short stacking energy: -29.569 Base-Backbone interact. energy: -0.029 local terms energy: -41.065453 where: bonds (distance) C4'-P energy: -11.626 bonds (distance) P-C4' energy: -11.912 flat angles C4'-P-C4' energy: -8.806 flat angles P-C4'-P energy: -3.127 tors. eta vs tors. theta energy: -5.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -85.503717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.503717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.503717 (E_RNA) where: Base-Base interactions energy: -37.401 where: short stacking energy: -32.748 Base-Backbone interact. energy: -0.239 local terms energy: -47.863163 where: bonds (distance) C4'-P energy: -12.596 bonds (distance) P-C4' energy: -12.636 flat angles C4'-P-C4' energy: -9.365 flat angles P-C4'-P energy: -5.801 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: 1, replica: 7 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -173.978918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.978918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.978918 (E_RNA) where: Base-Base interactions energy: -107.451 where: short stacking energy: -69.057 Base-Backbone interact. energy: -0.007 local terms energy: -66.521142 where: bonds (distance) C4'-P energy: -13.828 bonds (distance) P-C4' energy: -15.579 flat angles C4'-P-C4' energy: -11.147 flat angles P-C4'-P energy: -9.233 tors. eta vs tors. theta energy: -16.734 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: 10 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -149.125402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.125402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.125402 (E_RNA) where: Base-Base interactions energy: -91.646 where: short stacking energy: -51.334 Base-Backbone interact. energy: -0.173 local terms energy: -57.305736 where: bonds (distance) C4'-P energy: -11.627 bonds (distance) P-C4' energy: -14.709 flat angles C4'-P-C4' energy: -13.488 flat angles P-C4'-P energy: -8.337 tors. eta vs tors. theta energy: -9.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -152.708819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.708819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.708819 (E_RNA) where: Base-Base interactions energy: -91.787 where: short stacking energy: -57.410 Base-Backbone interact. energy: -0.365 local terms energy: -60.556257 where: bonds (distance) C4'-P energy: -12.830 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -12.645 flat angles P-C4'-P energy: -7.215 tors. eta vs tors. theta energy: -13.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -139.773650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.773650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.773650 (E_RNA) where: Base-Base interactions energy: -82.604 where: short stacking energy: -48.170 Base-Backbone interact. energy: -0.140 local terms energy: -57.029519 where: bonds (distance) C4'-P energy: -13.544 bonds (distance) P-C4' energy: -13.494 flat angles C4'-P-C4' energy: -10.711 flat angles P-C4'-P energy: -7.849 tors. eta vs tors. theta energy: -11.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -129.717026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.717026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.717026 (E_RNA) where: Base-Base interactions energy: -69.348 where: short stacking energy: -47.295 Base-Backbone interact. energy: 0.732 local terms energy: -61.100510 where: bonds (distance) C4'-P energy: -10.365 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -12.918 flat angles P-C4'-P energy: -11.154 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: 6, replica: 9 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -94.284813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.284813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.284813 (E_RNA) where: Base-Base interactions energy: -42.787 where: short stacking energy: -33.779 Base-Backbone interact. energy: -0.313 local terms energy: -51.183960 where: bonds (distance) C4'-P energy: -14.190 bonds (distance) P-C4' energy: -14.063 flat angles C4'-P-C4' energy: -11.591 flat angles P-C4'-P energy: -7.882 tors. eta vs tors. theta energy: -3.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -113.996654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.996654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.996654 (E_RNA) where: Base-Base interactions energy: -60.023 where: short stacking energy: -38.644 Base-Backbone interact. energy: -0.911 local terms energy: -53.063145 where: bonds (distance) C4'-P energy: -12.352 bonds (distance) P-C4' energy: -12.438 flat angles C4'-P-C4' energy: -13.220 flat angles P-C4'-P energy: -10.440 tors. eta vs tors. theta energy: -4.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -77.562936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.562936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.562936 (E_RNA) where: Base-Base interactions energy: -29.044 where: short stacking energy: -28.890 Base-Backbone interact. energy: -0.059 local terms energy: -48.459519 where: bonds (distance) C4'-P energy: -13.605 bonds (distance) P-C4' energy: -16.200 flat angles C4'-P-C4' energy: -8.543 flat angles P-C4'-P energy: -7.598 tors. eta vs tors. theta energy: -2.515 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: 2 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -83.426462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.426462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.426462 (E_RNA) where: Base-Base interactions energy: -36.112 where: short stacking energy: -34.223 Base-Backbone interact. energy: 0.750 local terms energy: -48.064648 where: bonds (distance) C4'-P energy: -12.244 bonds (distance) P-C4' energy: -14.255 flat angles C4'-P-C4' energy: -12.674 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -4.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -95.948522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.948522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.948522 (E_RNA) where: Base-Base interactions energy: -53.806 where: short stacking energy: -25.271 Base-Backbone interact. energy: -0.074 local terms energy: -42.068917 where: bonds (distance) C4'-P energy: -12.674 bonds (distance) P-C4' energy: -9.825 flat angles C4'-P-C4' energy: -10.489 flat angles P-C4'-P energy: -7.669 tors. eta vs tors. theta energy: -1.412 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: 7 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -173.894173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.894173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.894173 (E_RNA) where: Base-Base interactions energy: -109.274 where: short stacking energy: -66.182 Base-Backbone interact. energy: -0.007 local terms energy: -64.612873 where: bonds (distance) C4'-P energy: -12.609 bonds (distance) P-C4' energy: -12.845 flat angles C4'-P-C4' energy: -12.791 flat angles P-C4'-P energy: -10.971 tors. eta vs tors. theta energy: -15.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -148.084497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.084497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.084497 (E_RNA) where: Base-Base interactions energy: -86.566 where: short stacking energy: -52.092 Base-Backbone interact. energy: -0.103 local terms energy: -61.415427 where: bonds (distance) C4'-P energy: -13.518 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -15.013 flat angles P-C4'-P energy: -7.577 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: 3, replica: 10 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -145.153728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.153728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.153728 (E_RNA) where: Base-Base interactions energy: -87.662 where: short stacking energy: -56.676 Base-Backbone interact. energy: -0.130 local terms energy: -57.362379 where: bonds (distance) C4'-P energy: -8.744 bonds (distance) P-C4' energy: -11.301 flat angles C4'-P-C4' energy: -12.321 flat angles P-C4'-P energy: -9.635 tors. eta vs tors. theta energy: -15.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -152.942994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.942994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.942994 (E_RNA) where: Base-Base interactions energy: -87.979 where: short stacking energy: -58.446 Base-Backbone interact. energy: -0.382 local terms energy: -64.581814 where: bonds (distance) C4'-P energy: -14.698 bonds (distance) P-C4' energy: -11.474 flat angles C4'-P-C4' energy: -16.158 flat angles P-C4'-P energy: -10.122 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: 5, replica: 3 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -140.454508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.454508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.454508 (E_RNA) where: Base-Base interactions energy: -81.575 where: short stacking energy: -57.468 Base-Backbone interact. energy: -0.012 local terms energy: -58.867256 where: bonds (distance) C4'-P energy: -12.162 bonds (distance) P-C4' energy: -13.501 flat angles C4'-P-C4' energy: -10.541 flat angles P-C4'-P energy: -11.542 tors. eta vs tors. theta energy: -11.122 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: 1 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -124.408262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.408262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.408262 (E_RNA) where: Base-Base interactions energy: -81.306 where: short stacking energy: -54.288 Base-Backbone interact. energy: -0.050 local terms energy: -43.052897 where: bonds (distance) C4'-P energy: -5.177 bonds (distance) P-C4' energy: -9.332 flat angles C4'-P-C4' energy: -12.448 flat angles P-C4'-P energy: -7.258 tors. eta vs tors. theta energy: -8.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -85.615665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.615665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.615665 (E_RNA) where: Base-Base interactions energy: -38.629 where: short stacking energy: -37.445 Base-Backbone interact. energy: -0.052 local terms energy: -46.934715 where: bonds (distance) C4'-P energy: -10.932 bonds (distance) P-C4' energy: -12.753 flat angles C4'-P-C4' energy: -11.715 flat angles P-C4'-P energy: -8.165 tors. eta vs tors. theta energy: -3.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -84.515986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.515986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.515986 (E_RNA) where: Base-Base interactions energy: -39.842 where: short stacking energy: -28.447 Base-Backbone interact. energy: -0.632 local terms energy: -44.041249 where: bonds (distance) C4'-P energy: -11.830 bonds (distance) P-C4' energy: -13.964 flat angles C4'-P-C4' energy: -8.965 flat angles P-C4'-P energy: -8.583 tors. eta vs tors. theta energy: -0.700 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: 8 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -77.583875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.583875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.583875 (E_RNA) where: Base-Base interactions energy: -26.689 where: short stacking energy: -26.689 Base-Backbone interact. energy: -0.009 local terms energy: -50.885968 where: bonds (distance) C4'-P energy: -11.883 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -10.894 flat angles P-C4'-P energy: -7.980 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: 10, replica: 5 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -74.322090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.322090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.322090 (E_RNA) where: Base-Base interactions energy: -34.666 where: short stacking energy: -34.666 Base-Backbone interact. energy: -0.496 local terms energy: -39.159687 where: bonds (distance) C4'-P energy: -13.494 bonds (distance) P-C4' energy: -4.953 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -9.337 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: 1, replica: 4 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -159.853243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.853243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.853243 (E_RNA) where: Base-Base interactions energy: -99.302 where: short stacking energy: -62.440 Base-Backbone interact. energy: -0.048 local terms energy: -60.503379 where: bonds (distance) C4'-P energy: -9.839 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -13.921 flat angles P-C4'-P energy: -10.269 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: 2, replica: 7 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -153.574516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.574516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.574516 (E_RNA) where: Base-Base interactions energy: -90.341 where: short stacking energy: -54.953 Base-Backbone interact. energy: -0.022 local terms energy: -63.211011 where: bonds (distance) C4'-P energy: -12.226 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -14.385 flat angles P-C4'-P energy: -5.764 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: 3, replica: 10 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -151.781623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.781623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.781623 (E_RNA) where: Base-Base interactions energy: -88.238 where: short stacking energy: -58.982 Base-Backbone interact. energy: -0.003 local terms energy: -63.541485 where: bonds (distance) C4'-P energy: -13.617 bonds (distance) P-C4' energy: -11.262 flat angles C4'-P-C4' energy: -14.127 flat angles P-C4'-P energy: -10.806 tors. eta vs tors. theta energy: -13.729 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: 4, replica: 6 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -143.274205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.274205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.274205 (E_RNA) where: Base-Base interactions energy: -83.571 where: short stacking energy: -52.358 Base-Backbone interact. energy: -0.213 local terms energy: -59.490042 where: bonds (distance) C4'-P energy: -10.857 bonds (distance) P-C4' energy: -11.566 flat angles C4'-P-C4' energy: -14.932 flat angles P-C4'-P energy: -10.496 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: 1 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -136.633808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.633808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.633808 (E_RNA) where: Base-Base interactions energy: -79.115 where: short stacking energy: -49.299 Base-Backbone interact. energy: -0.056 local terms energy: -57.462938 where: bonds (distance) C4'-P energy: -12.240 bonds (distance) P-C4' energy: -11.408 flat angles C4'-P-C4' energy: -14.149 flat angles P-C4'-P energy: -8.183 tors. eta vs tors. theta energy: -11.483 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: 3 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -134.551403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.551403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.551403 (E_RNA) where: Base-Base interactions energy: -81.012 where: short stacking energy: -46.632 Base-Backbone interact. energy: -0.110 local terms energy: -53.429940 where: bonds (distance) C4'-P energy: -12.910 bonds (distance) P-C4' energy: -12.633 flat angles C4'-P-C4' energy: -9.554 flat angles P-C4'-P energy: -9.202 tors. eta vs tors. theta energy: -9.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -114.248289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.248289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.248289 (E_RNA) where: Base-Base interactions energy: -67.274 where: short stacking energy: -39.722 Base-Backbone interact. energy: -0.187 local terms energy: -46.787088 where: bonds (distance) C4'-P energy: -12.612 bonds (distance) P-C4' energy: -10.311 flat angles C4'-P-C4' energy: -11.425 flat angles P-C4'-P energy: -8.560 tors. eta vs tors. theta energy: -3.879 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: 2 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -77.680902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.680902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.680902 (E_RNA) where: Base-Base interactions energy: -36.471 where: short stacking energy: -36.471 Base-Backbone interact. energy: -0.130 local terms energy: -41.079808 where: bonds (distance) C4'-P energy: -9.689 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -10.171 flat angles P-C4'-P energy: -3.492 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: 9, replica: 8 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -73.226787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.226787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.226787 (E_RNA) where: Base-Base interactions energy: -30.922 where: short stacking energy: -30.922 Base-Backbone interact. energy: -0.778 local terms energy: -41.526788 where: bonds (distance) C4'-P energy: -10.274 bonds (distance) P-C4' energy: -9.369 flat angles C4'-P-C4' energy: -11.178 flat angles P-C4'-P energy: -6.367 tors. eta vs tors. theta energy: -4.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -103.335046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.335046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.335046 (E_RNA) where: Base-Base interactions energy: -62.777 where: short stacking energy: -30.715 Base-Backbone interact. energy: 0.444 local terms energy: -41.001839 where: bonds (distance) C4'-P energy: -10.993 bonds (distance) P-C4' energy: -10.690 flat angles C4'-P-C4' energy: -9.868 flat angles P-C4'-P energy: -5.840 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: 1, replica: 4 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -154.585221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.585221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.585221 (E_RNA) where: Base-Base interactions energy: -93.733 where: short stacking energy: -62.615 Base-Backbone interact. energy: -0.015 local terms energy: -60.837566 where: bonds (distance) C4'-P energy: -11.102 bonds (distance) P-C4' energy: -12.899 flat angles C4'-P-C4' energy: -15.528 flat angles P-C4'-P energy: -6.242 tors. eta vs tors. theta energy: -15.067 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: 7 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -156.713886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.713886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.713886 (E_RNA) where: Base-Base interactions energy: -89.955 where: short stacking energy: -53.079 Base-Backbone interact. energy: -0.041 local terms energy: -66.718374 where: bonds (distance) C4'-P energy: -14.972 bonds (distance) P-C4' energy: -13.780 flat angles C4'-P-C4' energy: -12.033 flat angles P-C4'-P energy: -10.471 tors. eta vs tors. theta energy: -15.463 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: 10 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -142.039683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.039683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.039683 (E_RNA) where: Base-Base interactions energy: -76.279 where: short stacking energy: -50.333 Base-Backbone interact. energy: -0.270 local terms energy: -65.490859 where: bonds (distance) C4'-P energy: -16.023 bonds (distance) P-C4' energy: -13.352 flat angles C4'-P-C4' energy: -15.049 flat angles P-C4'-P energy: -8.717 tors. eta vs tors. theta energy: -12.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -145.087810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.087810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.087810 (E_RNA) where: Base-Base interactions energy: -85.782 where: short stacking energy: -57.675 Base-Backbone interact. energy: -0.401 local terms energy: -58.904463 where: bonds (distance) C4'-P energy: -10.550 bonds (distance) P-C4' energy: -15.706 flat angles C4'-P-C4' energy: -14.159 flat angles P-C4'-P energy: -6.124 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: 5, replica: 6 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -136.883279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.883279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.883279 (E_RNA) where: Base-Base interactions energy: -87.075 where: short stacking energy: -53.820 Base-Backbone interact. energy: -0.023 local terms energy: -49.785998 where: bonds (distance) C4'-P energy: -10.357 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -12.918 flat angles P-C4'-P energy: -8.515 tors. eta vs tors. theta energy: -7.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -136.169263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.169263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.169263 (E_RNA) where: Base-Base interactions energy: -77.724 where: short stacking energy: -45.539 Base-Backbone interact. energy: 0.292 local terms energy: -58.737272 where: bonds (distance) C4'-P energy: -12.334 bonds (distance) P-C4' energy: -10.512 flat angles C4'-P-C4' energy: -12.896 flat angles P-C4'-P energy: -9.748 tors. eta vs tors. theta energy: -13.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -124.206299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.206299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.206299 (E_RNA) where: Base-Base interactions energy: -73.664 where: short stacking energy: -40.735 Base-Backbone interact. energy: -0.375 local terms energy: -50.167143 where: bonds (distance) C4'-P energy: -9.478 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -13.581 flat angles P-C4'-P energy: -5.747 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: 8, replica: 2 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -84.685567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.685567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.685567 (E_RNA) where: Base-Base interactions energy: -34.151 where: short stacking energy: -30.747 Base-Backbone interact. energy: -0.096 local terms energy: -50.438805 where: bonds (distance) C4'-P energy: -11.159 bonds (distance) P-C4' energy: -11.258 flat angles C4'-P-C4' energy: -12.113 flat angles P-C4'-P energy: -8.282 tors. eta vs tors. theta energy: -7.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -67.041443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.041443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.041443 (E_RNA) where: Base-Base interactions energy: -26.775 where: short stacking energy: -23.429 Base-Backbone interact. energy: 1.860 local terms energy: -42.126399 where: bonds (distance) C4'-P energy: -11.896 bonds (distance) P-C4' energy: -9.621 flat angles C4'-P-C4' energy: -7.846 flat angles P-C4'-P energy: -9.432 tors. eta vs tors. theta energy: -3.331 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: 10, replica: 5 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -110.504224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.504224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.504224 (E_RNA) where: Base-Base interactions energy: -64.963 where: short stacking energy: -34.890 Base-Backbone interact. energy: -0.341 local terms energy: -45.200161 where: bonds (distance) C4'-P energy: -14.032 bonds (distance) P-C4' energy: -14.860 flat angles C4'-P-C4' energy: -10.300 flat angles P-C4'-P energy: -2.693 tors. eta vs tors. theta energy: -3.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -157.391001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.391001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.391001 (E_RNA) where: Base-Base interactions energy: -93.795 where: short stacking energy: -59.401 Base-Backbone interact. energy: -0.004 local terms energy: -63.592400 where: bonds (distance) C4'-P energy: -12.914 bonds (distance) P-C4' energy: -15.476 flat angles C4'-P-C4' energy: -12.518 flat angles P-C4'-P energy: -10.444 tors. eta vs tors. theta energy: -12.240 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: 4 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -153.238289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.238289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.238289 (E_RNA) where: Base-Base interactions energy: -97.446 where: short stacking energy: -55.890 Base-Backbone interact. energy: -0.258 local terms energy: -55.533682 where: bonds (distance) C4'-P energy: -11.875 bonds (distance) P-C4' energy: -14.084 flat angles C4'-P-C4' energy: -11.510 flat angles P-C4'-P energy: -5.482 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: 3, replica: 1 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -145.797730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.797730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.797730 (E_RNA) where: Base-Base interactions energy: -86.656 where: short stacking energy: -55.599 Base-Backbone interact. energy: -0.028 local terms energy: -59.113200 where: bonds (distance) C4'-P energy: -8.828 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -14.997 flat angles P-C4'-P energy: -8.931 tors. eta vs tors. theta energy: -11.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -150.460259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.460259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.460259 (E_RNA) where: Base-Base interactions energy: -89.975 where: short stacking energy: -54.659 Base-Backbone interact. energy: 0.277 local terms energy: -60.763044 where: bonds (distance) C4'-P energy: -9.164 bonds (distance) P-C4' energy: -15.812 flat angles C4'-P-C4' energy: -13.133 flat angles P-C4'-P energy: -11.143 tors. eta vs tors. theta energy: -11.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -132.328032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.328032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.328032 (E_RNA) where: Base-Base interactions energy: -80.994 where: short stacking energy: -46.353 Base-Backbone interact. energy: 0.347 local terms energy: -51.681152 where: bonds (distance) C4'-P energy: -9.636 bonds (distance) P-C4' energy: -11.489 flat angles C4'-P-C4' energy: -12.786 flat angles P-C4'-P energy: -7.488 tors. eta vs tors. theta energy: -10.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -144.771548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.771548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.771548 (E_RNA) where: Base-Base interactions energy: -83.494 where: short stacking energy: -52.364 Base-Backbone interact. energy: 2.359 local terms energy: -63.637026 where: bonds (distance) C4'-P energy: -13.970 bonds (distance) P-C4' energy: -12.901 flat angles C4'-P-C4' energy: -13.609 flat angles P-C4'-P energy: -8.921 tors. eta vs tors. theta energy: -14.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -129.558322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.558322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.558322 (E_RNA) where: Base-Base interactions energy: -77.971 where: short stacking energy: -44.358 Base-Backbone interact. energy: 0.043 local terms energy: -51.630510 where: bonds (distance) C4'-P energy: -13.311 bonds (distance) P-C4' energy: -11.187 flat angles C4'-P-C4' energy: -10.656 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -11.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -91.361714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.361714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.361714 (E_RNA) where: Base-Base interactions energy: -38.729 where: short stacking energy: -38.729 Base-Backbone interact. energy: -0.080 local terms energy: -52.552691 where: bonds (distance) C4'-P energy: -13.486 bonds (distance) P-C4' energy: -14.691 flat angles C4'-P-C4' energy: -13.985 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -7.275 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: 5 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -83.177876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.177876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.177876 (E_RNA) where: Base-Base interactions energy: -33.997 where: short stacking energy: -32.360 Base-Backbone interact. energy: -0.866 local terms energy: -48.315451 where: bonds (distance) C4'-P energy: -10.679 bonds (distance) P-C4' energy: -13.582 flat angles C4'-P-C4' energy: -13.801 flat angles P-C4'-P energy: -5.607 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: 10, replica: 8 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -71.039278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.039278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.039278 (E_RNA) where: Base-Base interactions energy: -34.250 where: short stacking energy: -24.418 Base-Backbone interact. energy: -1.658 local terms energy: -35.131119 where: bonds (distance) C4'-P energy: -8.900 bonds (distance) P-C4' energy: -8.065 flat angles C4'-P-C4' energy: -13.783 flat angles P-C4'-P energy: -3.648 tors. eta vs tors. theta energy: -0.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -159.492455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.492455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.492455 (E_RNA) where: Base-Base interactions energy: -93.884 where: short stacking energy: -63.456 Base-Backbone interact. energy: -0.036 local terms energy: -65.572408 where: bonds (distance) C4'-P energy: -14.306 bonds (distance) P-C4' energy: -12.950 flat angles C4'-P-C4' energy: -14.031 flat angles P-C4'-P energy: -11.186 tors. eta vs tors. theta energy: -13.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -150.926646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.926646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.926646 (E_RNA) where: Base-Base interactions energy: -88.230 where: short stacking energy: -58.155 Base-Backbone interact. energy: -0.001 local terms energy: -62.696218 where: bonds (distance) C4'-P energy: -14.476 bonds (distance) P-C4' energy: -13.823 flat angles C4'-P-C4' energy: -12.924 flat angles P-C4'-P energy: -10.588 tors. eta vs tors. theta energy: -10.885 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: 1 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -139.106568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.106568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.106568 (E_RNA) where: Base-Base interactions energy: -79.498 where: short stacking energy: -44.811 Base-Backbone interact. energy: -0.133 local terms energy: -59.476040 where: bonds (distance) C4'-P energy: -12.819 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -14.482 flat angles P-C4'-P energy: -8.391 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: 4, replica: 6 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -157.075806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.075806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.075806 (E_RNA) where: Base-Base interactions energy: -92.026 where: short stacking energy: -58.582 Base-Backbone interact. energy: -0.116 local terms energy: -64.933696 where: bonds (distance) C4'-P energy: -12.281 bonds (distance) P-C4' energy: -15.188 flat angles C4'-P-C4' energy: -12.120 flat angles P-C4'-P energy: -10.479 tors. eta vs tors. theta energy: -14.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -122.044639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.044639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.044639 (E_RNA) where: Base-Base interactions energy: -72.363 where: short stacking energy: -45.596 Base-Backbone interact. energy: -0.048 local terms energy: -49.633383 where: bonds (distance) C4'-P energy: -7.900 bonds (distance) P-C4' energy: -12.383 flat angles C4'-P-C4' energy: -12.996 flat angles P-C4'-P energy: -7.330 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: 9 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -125.644344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.644344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.644344 (E_RNA) where: Base-Base interactions energy: -73.320 where: short stacking energy: -44.156 Base-Backbone interact. energy: -0.059 local terms energy: -52.265084 where: bonds (distance) C4'-P energy: -9.781 bonds (distance) P-C4' energy: -13.750 flat angles C4'-P-C4' energy: -13.011 flat angles P-C4'-P energy: -8.093 tors. eta vs tors. theta energy: -7.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -122.679613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.679613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.679613 (E_RNA) where: Base-Base interactions energy: -70.320 where: short stacking energy: -38.942 Base-Backbone interact. energy: -0.156 local terms energy: -52.203016 where: bonds (distance) C4'-P energy: -13.287 bonds (distance) P-C4' energy: -10.654 flat angles C4'-P-C4' energy: -7.672 flat angles P-C4'-P energy: -10.200 tors. eta vs tors. theta energy: -10.390 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: 5 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -82.900088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.900088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.900088 (E_RNA) where: Base-Base interactions energy: -38.555 where: short stacking energy: -36.011 Base-Backbone interact. energy: -0.369 local terms energy: -43.975682 where: bonds (distance) C4'-P energy: -10.226 bonds (distance) P-C4' energy: -13.394 flat angles C4'-P-C4' energy: -9.910 flat angles P-C4'-P energy: -5.144 tors. eta vs tors. theta energy: -5.303 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: 9, replica: 2 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -81.893662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.893662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.893662 (E_RNA) where: Base-Base interactions energy: -36.064 where: short stacking energy: -36.064 Base-Backbone interact. energy: -0.012 local terms energy: -45.817222 where: bonds (distance) C4'-P energy: -9.064 bonds (distance) P-C4' energy: -10.449 flat angles C4'-P-C4' energy: -12.119 flat angles P-C4'-P energy: -8.164 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: 10, replica: 8 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -76.454435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.454435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.454435 (E_RNA) where: Base-Base interactions energy: -27.038 where: short stacking energy: -24.546 Base-Backbone interact. energy: -0.021 local terms energy: -49.394913 where: bonds (distance) C4'-P energy: -12.451 bonds (distance) P-C4' energy: -11.763 flat angles C4'-P-C4' energy: -13.373 flat angles P-C4'-P energy: -8.291 tors. eta vs tors. theta energy: -3.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -158.476671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.476671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.476671 (E_RNA) where: Base-Base interactions energy: -94.459 where: short stacking energy: -63.531 Base-Backbone interact. energy: -0.027 local terms energy: -63.990742 where: bonds (distance) C4'-P energy: -10.591 bonds (distance) P-C4' energy: -13.526 flat angles C4'-P-C4' energy: -13.430 flat angles P-C4'-P energy: -9.895 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: 7 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -148.763791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.763791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.763791 (E_RNA) where: Base-Base interactions energy: -89.624 where: short stacking energy: -59.394 Base-Backbone interact. energy: -0.019 local terms energy: -59.120831 where: bonds (distance) C4'-P energy: -8.734 bonds (distance) P-C4' energy: -14.349 flat angles C4'-P-C4' energy: -13.647 flat angles P-C4'-P energy: -9.015 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: 368 Temperature: 1.000000 Total energy: -150.039983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.039983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.039983 (E_RNA) where: Base-Base interactions energy: -90.277 where: short stacking energy: -56.653 Base-Backbone interact. energy: -0.011 local terms energy: -59.751367 where: bonds (distance) C4'-P energy: -10.207 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -11.704 flat angles P-C4'-P energy: -9.403 tors. eta vs tors. theta energy: -12.940 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: 1 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -152.510844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.510844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.510844 (E_RNA) where: Base-Base interactions energy: -90.704 where: short stacking energy: -55.391 Base-Backbone interact. energy: -0.035 local terms energy: -61.771991 where: bonds (distance) C4'-P energy: -12.096 bonds (distance) P-C4' energy: -15.756 flat angles C4'-P-C4' energy: -12.678 flat angles P-C4'-P energy: -9.879 tors. eta vs tors. theta energy: -11.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -132.921190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.921190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.921190 (E_RNA) where: Base-Base interactions energy: -84.383 where: short stacking energy: -48.396 Base-Backbone interact. energy: -0.003 local terms energy: -48.535496 where: bonds (distance) C4'-P energy: -9.655 bonds (distance) P-C4' energy: -13.119 flat angles C4'-P-C4' energy: -9.236 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: -11.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -122.069122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.069122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.069122 (E_RNA) where: Base-Base interactions energy: -73.444 where: short stacking energy: -46.239 Base-Backbone interact. energy: -0.214 local terms energy: -48.411050 where: bonds (distance) C4'-P energy: -11.862 bonds (distance) P-C4' energy: -9.863 flat angles C4'-P-C4' energy: -10.119 flat angles P-C4'-P energy: -10.464 tors. eta vs tors. theta energy: -6.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -94.653606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.653606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.653606 (E_RNA) where: Base-Base interactions energy: -42.168 where: short stacking energy: -39.286 Base-Backbone interact. energy: -0.497 local terms energy: -51.988348 where: bonds (distance) C4'-P energy: -13.634 bonds (distance) P-C4' energy: -12.479 flat angles C4'-P-C4' energy: -11.780 flat angles P-C4'-P energy: -9.449 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: 3 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -116.560033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.560033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.560033 (E_RNA) where: Base-Base interactions energy: -63.579 where: short stacking energy: -34.092 Base-Backbone interact. energy: -0.016 local terms energy: -52.965583 where: bonds (distance) C4'-P energy: -13.419 bonds (distance) P-C4' energy: -12.641 flat angles C4'-P-C4' energy: -13.334 flat angles P-C4'-P energy: -7.154 tors. eta vs tors. theta energy: -6.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -88.485841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.485841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.485841 (E_RNA) where: Base-Base interactions energy: -46.058 where: short stacking energy: -31.746 Base-Backbone interact. energy: -0.544 local terms energy: -41.883976 where: bonds (distance) C4'-P energy: -8.974 bonds (distance) P-C4' energy: -10.721 flat angles C4'-P-C4' energy: -9.747 flat angles P-C4'-P energy: -10.225 tors. eta vs tors. theta energy: -2.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -74.056620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.056620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.056620 (E_RNA) where: Base-Base interactions energy: -25.754 where: short stacking energy: -23.553 Base-Backbone interact. energy: 0.079 local terms energy: -48.382173 where: bonds (distance) C4'-P energy: -12.256 bonds (distance) P-C4' energy: -11.225 flat angles C4'-P-C4' energy: -9.141 flat angles P-C4'-P energy: -8.584 tors. eta vs tors. theta energy: -7.176 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: 4 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -150.675129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.675129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.675129 (E_RNA) where: Base-Base interactions energy: -89.700 where: short stacking energy: -55.823 Base-Backbone interact. energy: -0.150 local terms energy: -60.824528 where: bonds (distance) C4'-P energy: -13.758 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -13.941 flat angles P-C4'-P energy: -7.918 tors. eta vs tors. theta energy: -12.123 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: 7 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -152.292882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.292882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.292882 (E_RNA) where: Base-Base interactions energy: -95.840 where: short stacking energy: -64.982 Base-Backbone interact. energy: -0.562 local terms energy: -55.890818 where: bonds (distance) C4'-P energy: -7.219 bonds (distance) P-C4' energy: -11.894 flat angles C4'-P-C4' energy: -12.027 flat angles P-C4'-P energy: -6.750 tors. eta vs tors. theta energy: -18.001 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: 369 Temperature: 1.000000 Total energy: -154.596871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.596871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.596871 (E_RNA) where: Base-Base interactions energy: -95.087 where: short stacking energy: -63.178 Base-Backbone interact. energy: -0.267 local terms energy: -59.243356 where: bonds (distance) C4'-P energy: -8.778 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -10.016 flat angles P-C4'-P energy: -10.309 tors. eta vs tors. theta energy: -15.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -144.468496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.468496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.468496 (E_RNA) where: Base-Base interactions energy: -88.812 where: short stacking energy: -53.651 Base-Backbone interact. energy: -0.020 local terms energy: -55.636047 where: bonds (distance) C4'-P energy: -12.736 bonds (distance) P-C4' energy: -11.069 flat angles C4'-P-C4' energy: -11.467 flat angles P-C4'-P energy: -7.100 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: 5, replica: 9 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -97.903622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.903622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.903622 (E_RNA) where: Base-Base interactions energy: -42.540 where: short stacking energy: -42.540 Base-Backbone interact. energy: -0.198 local terms energy: -55.165444 where: bonds (distance) C4'-P energy: -10.592 bonds (distance) P-C4' energy: -13.846 flat angles C4'-P-C4' energy: -12.087 flat angles P-C4'-P energy: -10.199 tors. eta vs tors. theta energy: -8.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -129.875552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.875552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.875552 (E_RNA) where: Base-Base interactions energy: -76.640 where: short stacking energy: -53.212 Base-Backbone interact. energy: -0.093 local terms energy: -53.142827 where: bonds (distance) C4'-P energy: -13.226 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -7.844 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: 5 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -87.896957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.896957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.896957 (E_RNA) where: Base-Base interactions energy: -36.048 where: short stacking energy: -30.910 Base-Backbone interact. energy: -0.038 local terms energy: -51.810857 where: bonds (distance) C4'-P energy: -11.618 bonds (distance) P-C4' energy: -12.617 flat angles C4'-P-C4' energy: -14.729 flat angles P-C4'-P energy: -7.997 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: 3 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -81.403406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.403406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.403406 (E_RNA) where: Base-Base interactions energy: -29.063 where: short stacking energy: -24.615 Base-Backbone interact. energy: -0.048 local terms energy: -52.293144 where: bonds (distance) C4'-P energy: -14.252 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -13.096 flat angles P-C4'-P energy: -4.860 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: 2 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -81.431270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.431270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.431270 (E_RNA) where: Base-Base interactions energy: -34.807 where: short stacking energy: -34.807 Base-Backbone interact. energy: -0.124 local terms energy: -46.500215 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -12.306 flat angles C4'-P-C4' energy: -12.466 flat angles P-C4'-P energy: -8.699 tors. eta vs tors. theta energy: -5.071 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: 8 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -91.242812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.242812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.242812 (E_RNA) where: Base-Base interactions energy: -42.670 where: short stacking energy: -35.816 Base-Backbone interact. energy: -0.304 local terms energy: -48.269159 where: bonds (distance) C4'-P energy: -10.657 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -11.652 flat angles P-C4'-P energy: -8.939 tors. eta vs tors. theta energy: -1.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -154.102814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.102814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.102814 (E_RNA) where: Base-Base interactions energy: -97.187 where: short stacking energy: -56.161 Base-Backbone interact. energy: -0.339 local terms energy: -56.576990 where: bonds (distance) C4'-P energy: -13.464 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -10.162 flat angles P-C4'-P energy: -7.043 tors. eta vs tors. theta energy: -11.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -150.954945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.954945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.954945 (E_RNA) where: Base-Base interactions energy: -89.265 where: short stacking energy: -55.175 Base-Backbone interact. energy: -0.012 local terms energy: -61.678053 where: bonds (distance) C4'-P energy: -13.944 bonds (distance) P-C4' energy: -11.592 flat angles C4'-P-C4' energy: -14.493 flat angles P-C4'-P energy: -5.141 tors. eta vs tors. theta energy: -16.508 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: 1 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -147.905186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.905186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.905186 (E_RNA) where: Base-Base interactions energy: -86.636 where: short stacking energy: -54.913 Base-Backbone interact. energy: -0.265 local terms energy: -61.004163 where: bonds (distance) C4'-P energy: -10.001 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -13.860 flat angles P-C4'-P energy: -10.491 tors. eta vs tors. theta energy: -12.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -137.331675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.331675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.331675 (E_RNA) where: Base-Base interactions energy: -78.432 where: short stacking energy: -48.241 Base-Backbone interact. energy: -0.145 local terms energy: -58.754652 where: bonds (distance) C4'-P energy: -13.999 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -10.224 flat angles P-C4'-P energy: -8.970 tors. eta vs tors. theta energy: -12.896 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: 10 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -104.764797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.764797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.764797 (E_RNA) where: Base-Base interactions energy: -46.480 where: short stacking energy: -38.562 Base-Backbone interact. energy: -0.149 local terms energy: -58.135542 where: bonds (distance) C4'-P energy: -14.306 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -13.946 flat angles P-C4'-P energy: -8.905 tors. eta vs tors. theta energy: -5.244 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: 9 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -95.780060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.780060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.780060 (E_RNA) where: Base-Base interactions energy: -44.590 where: short stacking energy: -34.254 Base-Backbone interact. energy: -0.051 local terms energy: -51.138683 where: bonds (distance) C4'-P energy: -9.043 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -12.504 flat angles P-C4'-P energy: -7.861 tors. eta vs tors. theta energy: -7.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -93.593537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.593537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.593537 (E_RNA) where: Base-Base interactions energy: -42.991 where: short stacking energy: -42.991 Base-Backbone interact. energy: 0.872 local terms energy: -51.474206 where: bonds (distance) C4'-P energy: -9.536 bonds (distance) P-C4' energy: -14.937 flat angles C4'-P-C4' energy: -7.256 flat angles P-C4'-P energy: -9.450 tors. eta vs tors. theta energy: -10.295 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: 5 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -70.352154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.352154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.352154 (E_RNA) where: Base-Base interactions energy: -36.815 where: short stacking energy: -16.719 Base-Backbone interact. energy: -0.250 local terms energy: -33.287211 where: bonds (distance) C4'-P energy: -7.884 bonds (distance) P-C4' energy: -9.336 flat angles C4'-P-C4' energy: -12.573 flat angles P-C4'-P energy: -7.918 tors. eta vs tors. theta energy: 4.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -84.007494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.007494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.007494 (E_RNA) where: Base-Base interactions energy: -39.111 where: short stacking energy: -25.764 Base-Backbone interact. energy: -0.166 local terms energy: -44.730667 where: bonds (distance) C4'-P energy: -9.299 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -6.351 flat angles P-C4'-P energy: -8.739 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: 10, replica: 2 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -69.625534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.625534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.625534 (E_RNA) where: Base-Base interactions energy: -27.854 where: short stacking energy: -27.854 Base-Backbone interact. energy: -0.120 local terms energy: -41.651207 where: bonds (distance) C4'-P energy: -13.643 bonds (distance) P-C4' energy: -4.579 flat angles C4'-P-C4' energy: -11.116 flat angles P-C4'-P energy: -7.736 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: 7 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -150.958613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.958613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.958613 (E_RNA) where: Base-Base interactions energy: -92.582 where: short stacking energy: -53.236 Base-Backbone interact. energy: -0.352 local terms energy: -58.024863 where: bonds (distance) C4'-P energy: -10.170 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -14.251 flat angles P-C4'-P energy: -2.672 tors. eta vs tors. theta energy: -15.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -150.368112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.368112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.368112 (E_RNA) where: Base-Base interactions energy: -92.643 where: short stacking energy: -54.812 Base-Backbone interact. energy: -0.088 local terms energy: -57.636880 where: bonds (distance) C4'-P energy: -12.202 bonds (distance) P-C4' energy: -11.057 flat angles C4'-P-C4' energy: -11.144 flat angles P-C4'-P energy: -8.900 tors. eta vs tors. theta energy: -14.334 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: 4 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -141.756486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.756486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.756486 (E_RNA) where: Base-Base interactions energy: -89.101 where: short stacking energy: -51.162 Base-Backbone interact. energy: -0.139 local terms energy: -52.516021 where: bonds (distance) C4'-P energy: -12.905 bonds (distance) P-C4' energy: -11.665 flat angles C4'-P-C4' energy: -12.627 flat angles P-C4'-P energy: -6.744 tors. eta vs tors. theta energy: -8.575 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: 6 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -138.148644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.148644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.148644 (E_RNA) where: Base-Base interactions energy: -80.527 where: short stacking energy: -40.959 Base-Backbone interact. energy: -0.448 local terms energy: -57.173888 where: bonds (distance) C4'-P energy: -11.644 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -12.910 flat angles P-C4'-P energy: -6.837 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: 5, replica: 10 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -111.307408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.307408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.307408 (E_RNA) where: Base-Base interactions energy: -48.883 where: short stacking energy: -45.786 Base-Backbone interact. energy: -0.174 local terms energy: -62.250325 where: bonds (distance) C4'-P energy: -14.458 bonds (distance) P-C4' energy: -12.308 flat angles C4'-P-C4' energy: -14.713 flat angles P-C4'-P energy: -12.015 tors. eta vs tors. theta energy: -8.756 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: 9 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -99.911316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.911316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.911316 (E_RNA) where: Base-Base interactions energy: -47.583 where: short stacking energy: -43.324 Base-Backbone interact. energy: -0.002 local terms energy: -52.326167 where: bonds (distance) C4'-P energy: -14.396 bonds (distance) P-C4' energy: -12.162 flat angles C4'-P-C4' energy: -13.454 flat angles P-C4'-P energy: -4.518 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: 7, replica: 3 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -87.801809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.801809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.801809 (E_RNA) where: Base-Base interactions energy: -35.524 where: short stacking energy: -35.524 Base-Backbone interact. energy: -0.013 local terms energy: -52.264215 where: bonds (distance) C4'-P energy: -9.228 bonds (distance) P-C4' energy: -12.899 flat angles C4'-P-C4' energy: -13.019 flat angles P-C4'-P energy: -9.244 tors. eta vs tors. theta energy: -7.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -86.805699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.805699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.805699 (E_RNA) where: Base-Base interactions energy: -39.099 where: short stacking energy: -37.479 Base-Backbone interact. energy: -0.247 local terms energy: -47.459706 where: bonds (distance) C4'-P energy: -6.042 bonds (distance) P-C4' energy: -16.218 flat angles C4'-P-C4' energy: -12.925 flat angles P-C4'-P energy: -6.188 tors. eta vs tors. theta energy: -6.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -76.700517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.700517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.700517 (E_RNA) where: Base-Base interactions energy: -32.544 where: short stacking energy: -27.379 Base-Backbone interact. energy: -0.080 local terms energy: -44.076623 where: bonds (distance) C4'-P energy: -13.030 bonds (distance) P-C4' energy: -12.219 flat angles C4'-P-C4' energy: -10.253 flat angles P-C4'-P energy: -5.895 tors. eta vs tors. theta energy: -2.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -76.160527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.160527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.160527 (E_RNA) where: Base-Base interactions energy: -39.549 where: short stacking energy: -39.549 Base-Backbone interact. energy: 0.032 local terms energy: -36.643283 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -10.637 flat angles C4'-P-C4' energy: -7.997 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -7.736 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: 1 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -146.604309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.604309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.604309 (E_RNA) where: Base-Base interactions energy: -89.515 where: short stacking energy: -54.364 Base-Backbone interact. energy: -0.020 local terms energy: -57.068975 where: bonds (distance) C4'-P energy: -9.147 bonds (distance) P-C4' energy: -14.078 flat angles C4'-P-C4' energy: -14.799 flat angles P-C4'-P energy: -5.975 tors. eta vs tors. theta energy: -13.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -159.953826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.953826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.953826 (E_RNA) where: Base-Base interactions energy: -99.927 where: short stacking energy: -63.969 Base-Backbone interact. energy: -0.005 local terms energy: -60.021959 where: bonds (distance) C4'-P energy: -10.541 bonds (distance) P-C4' energy: -14.712 flat angles C4'-P-C4' energy: -14.331 flat angles P-C4'-P energy: -7.536 tors. eta vs tors. theta energy: -12.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -142.020879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.020879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.020879 (E_RNA) where: Base-Base interactions energy: -85.403 where: short stacking energy: -55.404 Base-Backbone interact. energy: -0.094 local terms energy: -56.523362 where: bonds (distance) C4'-P energy: -11.034 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -12.190 flat angles P-C4'-P energy: -6.643 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: 4, replica: 4 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -150.421374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.421374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.421374 (E_RNA) where: Base-Base interactions energy: -90.391 where: short stacking energy: -55.094 Base-Backbone interact. energy: -0.748 local terms energy: -59.282229 where: bonds (distance) C4'-P energy: -14.786 bonds (distance) P-C4' energy: -12.200 flat angles C4'-P-C4' energy: -13.308 flat angles P-C4'-P energy: -7.456 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: 5, replica: 10 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -103.467937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.467937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.467937 (E_RNA) where: Base-Base interactions energy: -57.279 where: short stacking energy: -29.753 Base-Backbone interact. energy: -0.005 local terms energy: -46.184207 where: bonds (distance) C4'-P energy: -10.748 bonds (distance) P-C4' energy: -13.386 flat angles C4'-P-C4' energy: -10.613 flat angles P-C4'-P energy: -5.401 tors. eta vs tors. theta energy: -6.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -91.773394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.773394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.773394 (E_RNA) where: Base-Base interactions energy: -41.119 where: short stacking energy: -41.119 Base-Backbone interact. energy: -0.722 local terms energy: -49.932493 where: bonds (distance) C4'-P energy: -13.047 bonds (distance) P-C4' energy: -11.219 flat angles C4'-P-C4' energy: -12.119 flat angles P-C4'-P energy: -8.159 tors. eta vs tors. theta energy: -5.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -95.544285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.544285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.544285 (E_RNA) where: Base-Base interactions energy: -44.785 where: short stacking energy: -44.785 Base-Backbone interact. energy: -0.167 local terms energy: -50.591838 where: bonds (distance) C4'-P energy: -12.025 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -5.972 flat angles P-C4'-P energy: -6.361 tors. eta vs tors. theta energy: -12.258 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: 3 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -82.842361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.842361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.842361 (E_RNA) where: Base-Base interactions energy: -28.522 where: short stacking energy: -28.522 Base-Backbone interact. energy: -0.063 local terms energy: -54.257569 where: bonds (distance) C4'-P energy: -11.995 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -12.973 flat angles P-C4'-P energy: -7.035 tors. eta vs tors. theta energy: -6.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -84.544414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.544414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.544414 (E_RNA) where: Base-Base interactions energy: -39.568 where: short stacking energy: -37.599 Base-Backbone interact. energy: -0.248 local terms energy: -44.728469 where: bonds (distance) C4'-P energy: -12.433 bonds (distance) P-C4' energy: -10.193 flat angles C4'-P-C4' energy: -11.886 flat angles P-C4'-P energy: -5.284 tors. eta vs tors. theta energy: -4.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -80.074310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.074310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.074310 (E_RNA) where: Base-Base interactions energy: -38.142 where: short stacking energy: -36.426 Base-Backbone interact. energy: -0.100 local terms energy: -41.831846 where: bonds (distance) C4'-P energy: -10.729 bonds (distance) P-C4' energy: -12.050 flat angles C4'-P-C4' energy: -8.946 flat angles P-C4'-P energy: -1.407 tors. eta vs tors. theta energy: -8.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -142.607573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.607573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.607573 (E_RNA) where: Base-Base interactions energy: -87.691 where: short stacking energy: -51.764 Base-Backbone interact. energy: 1.530 local terms energy: -56.446653 where: bonds (distance) C4'-P energy: -13.407 bonds (distance) P-C4' energy: -14.793 flat angles C4'-P-C4' energy: -13.270 flat angles P-C4'-P energy: -7.638 tors. eta vs tors. theta energy: -7.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -161.399659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.399659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.399659 (E_RNA) where: Base-Base interactions energy: -101.242 where: short stacking energy: -66.461 Base-Backbone interact. energy: -0.356 local terms energy: -59.801728 where: bonds (distance) C4'-P energy: -11.779 bonds (distance) P-C4' energy: -10.305 flat angles C4'-P-C4' energy: -14.106 flat angles P-C4'-P energy: -7.273 tors. eta vs tors. theta energy: -16.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -143.555622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.555622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.555622 (E_RNA) where: Base-Base interactions energy: -83.901 where: short stacking energy: -50.028 Base-Backbone interact. energy: -0.404 local terms energy: -59.250835 where: bonds (distance) C4'-P energy: -10.096 bonds (distance) P-C4' energy: -14.983 flat angles C4'-P-C4' energy: -13.823 flat angles P-C4'-P energy: -9.015 tors. eta vs tors. theta energy: -11.334 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: 4 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -143.166897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.166897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.166897 (E_RNA) where: Base-Base interactions energy: -81.582 where: short stacking energy: -48.021 Base-Backbone interact. energy: -0.044 local terms energy: -61.540816 where: bonds (distance) C4'-P energy: -12.736 bonds (distance) P-C4' energy: -11.846 flat angles C4'-P-C4' energy: -14.601 flat angles P-C4'-P energy: -6.326 tors. eta vs tors. theta energy: -16.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -97.204243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.204243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.204243 (E_RNA) where: Base-Base interactions energy: -41.438 where: short stacking energy: -41.438 Base-Backbone interact. energy: -0.021 local terms energy: -55.745328 where: bonds (distance) C4'-P energy: -11.973 bonds (distance) P-C4' energy: -16.496 flat angles C4'-P-C4' energy: -7.799 flat angles P-C4'-P energy: -9.107 tors. eta vs tors. theta energy: -10.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -98.914942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.914942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.914942 (E_RNA) where: Base-Base interactions energy: -45.013 where: short stacking energy: -45.013 Base-Backbone interact. energy: -0.034 local terms energy: -53.867834 where: bonds (distance) C4'-P energy: -13.075 bonds (distance) P-C4' energy: -10.494 flat angles C4'-P-C4' energy: -12.758 flat angles P-C4'-P energy: -7.875 tors. eta vs tors. theta energy: -9.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -96.181037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.181037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.181037 (E_RNA) where: Base-Base interactions energy: -47.420 where: short stacking energy: -47.420 Base-Backbone interact. energy: -0.078 local terms energy: -48.683241 where: bonds (distance) C4'-P energy: -12.648 bonds (distance) P-C4' energy: -11.725 flat angles C4'-P-C4' energy: -8.585 flat angles P-C4'-P energy: -8.737 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: 2 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -72.047798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.047798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.047798 (E_RNA) where: Base-Base interactions energy: -26.874 where: short stacking energy: -20.070 Base-Backbone interact. energy: 0.233 local terms energy: -45.406328 where: bonds (distance) C4'-P energy: -11.424 bonds (distance) P-C4' energy: -12.965 flat angles C4'-P-C4' energy: -11.576 flat angles P-C4'-P energy: -8.583 tors. eta vs tors. theta energy: -0.859 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: 3 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -84.782706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.782706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.782706 (E_RNA) where: Base-Base interactions energy: -38.079 where: short stacking energy: -38.079 Base-Backbone interact. energy: 0.010 local terms energy: -46.713511 where: bonds (distance) C4'-P energy: -10.857 bonds (distance) P-C4' energy: -14.011 flat angles C4'-P-C4' energy: -12.445 flat angles P-C4'-P energy: -5.419 tors. eta vs tors. theta energy: -3.982 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: 5 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -83.011297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.011297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.011297 (E_RNA) where: Base-Base interactions energy: -37.618 where: short stacking energy: -36.125 Base-Backbone interact. energy: -0.024 local terms energy: -45.369627 where: bonds (distance) C4'-P energy: -9.831 bonds (distance) P-C4' energy: -12.014 flat angles C4'-P-C4' energy: -9.833 flat angles P-C4'-P energy: -7.119 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: 1, replica: 6 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -150.621569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.621569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.621569 (E_RNA) where: Base-Base interactions energy: -89.381 where: short stacking energy: -53.785 Base-Backbone interact. energy: -0.133 local terms energy: -61.107170 where: bonds (distance) C4'-P energy: -13.775 bonds (distance) P-C4' energy: -13.535 flat angles C4'-P-C4' energy: -11.185 flat angles P-C4'-P energy: -9.972 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: 1 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -146.696886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.696886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.696886 (E_RNA) where: Base-Base interactions energy: -89.458 where: short stacking energy: -56.151 Base-Backbone interact. energy: -0.030 local terms energy: -57.208265 where: bonds (distance) C4'-P energy: -14.996 bonds (distance) P-C4' energy: -9.514 flat angles C4'-P-C4' energy: -12.116 flat angles P-C4'-P energy: -8.203 tors. eta vs tors. theta energy: -12.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -153.737759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.737759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.737759 (E_RNA) where: Base-Base interactions energy: -95.568 where: short stacking energy: -59.378 Base-Backbone interact. energy: -0.124 local terms energy: -58.046696 where: bonds (distance) C4'-P energy: -8.219 bonds (distance) P-C4' energy: -14.994 flat angles C4'-P-C4' energy: -12.462 flat angles P-C4'-P energy: -7.474 tors. eta vs tors. theta energy: -14.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -132.030824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.030824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.030824 (E_RNA) where: Base-Base interactions energy: -85.910 where: short stacking energy: -55.677 Base-Backbone interact. energy: -0.133 local terms energy: -45.987829 where: bonds (distance) C4'-P energy: -7.665 bonds (distance) P-C4' energy: -11.728 flat angles C4'-P-C4' energy: -9.183 flat angles P-C4'-P energy: -6.286 tors. eta vs tors. theta energy: -11.126 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: 10 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -107.863937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.863937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.863937 (E_RNA) where: Base-Base interactions energy: -49.176 where: short stacking energy: -48.563 Base-Backbone interact. energy: -0.058 local terms energy: -58.630002 where: bonds (distance) C4'-P energy: -12.658 bonds (distance) P-C4' energy: -12.682 flat angles C4'-P-C4' energy: -10.847 flat angles P-C4'-P energy: -10.546 tors. eta vs tors. theta energy: -11.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -102.448950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.448950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.448950 (E_RNA) where: Base-Base interactions energy: -53.506 where: short stacking energy: -46.718 Base-Backbone interact. energy: 1.180 local terms energy: -50.123045 where: bonds (distance) C4'-P energy: -10.323 bonds (distance) P-C4' energy: -11.181 flat angles C4'-P-C4' energy: -12.993 flat angles P-C4'-P energy: -8.115 tors. eta vs tors. theta energy: -7.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -86.050654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.050654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.050654 (E_RNA) where: Base-Base interactions energy: -37.699 where: short stacking energy: -36.712 Base-Backbone interact. energy: -0.172 local terms energy: -48.179379 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -11.921 flat angles C4'-P-C4' energy: -11.074 flat angles P-C4'-P energy: -12.050 tors. eta vs tors. theta energy: -5.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -90.519359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.519359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.519359 (E_RNA) where: Base-Base interactions energy: -43.677 where: short stacking energy: -20.584 Base-Backbone interact. energy: -0.128 local terms energy: -46.714213 where: bonds (distance) C4'-P energy: -11.787 bonds (distance) P-C4' energy: -14.119 flat angles C4'-P-C4' energy: -10.806 flat angles P-C4'-P energy: -9.351 tors. eta vs tors. theta energy: -0.650 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: 9, replica: 5 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -94.777257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.777257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.777257 (E_RNA) where: Base-Base interactions energy: -43.444 where: short stacking energy: -43.444 Base-Backbone interact. energy: 0.033 local terms energy: -51.366215 where: bonds (distance) C4'-P energy: -13.436 bonds (distance) P-C4' energy: -14.514 flat angles C4'-P-C4' energy: -11.347 flat angles P-C4'-P energy: -4.085 tors. eta vs tors. theta energy: -7.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -71.673481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.673481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.673481 (E_RNA) where: Base-Base interactions energy: -30.432 where: short stacking energy: -28.889 Base-Backbone interact. energy: -0.198 local terms energy: -41.043212 where: bonds (distance) C4'-P energy: -11.237 bonds (distance) P-C4' energy: -12.160 flat angles C4'-P-C4' energy: -7.379 flat angles P-C4'-P energy: -5.931 tors. eta vs tors. theta energy: -4.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -144.770964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.770964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.770964 (E_RNA) where: Base-Base interactions energy: -87.181 where: short stacking energy: -54.961 Base-Backbone interact. energy: 1.061 local terms energy: -58.651691 where: bonds (distance) C4'-P energy: -13.986 bonds (distance) P-C4' energy: -13.799 flat angles C4'-P-C4' energy: -14.651 flat angles P-C4'-P energy: -6.317 tors. eta vs tors. theta energy: -9.899 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: 1 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -165.399154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.399154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.399154 (E_RNA) where: Base-Base interactions energy: -96.637 where: short stacking energy: -55.083 Base-Backbone interact. energy: -0.374 local terms energy: -68.387519 where: bonds (distance) C4'-P energy: -13.817 bonds (distance) P-C4' energy: -13.285 flat angles C4'-P-C4' energy: -13.337 flat angles P-C4'-P energy: -10.456 tors. eta vs tors. theta energy: -17.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -149.715021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.715021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.715021 (E_RNA) where: Base-Base interactions energy: -89.320 where: short stacking energy: -55.032 Base-Backbone interact. energy: -0.522 local terms energy: -59.873269 where: bonds (distance) C4'-P energy: -12.061 bonds (distance) P-C4' energy: -13.292 flat angles C4'-P-C4' energy: -11.324 flat angles P-C4'-P energy: -8.586 tors. eta vs tors. theta energy: -14.609 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: 4, replica: 7 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -138.139941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.139941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.139941 (E_RNA) where: Base-Base interactions energy: -81.991 where: short stacking energy: -57.365 Base-Backbone interact. energy: -0.003 local terms energy: -56.146069 where: bonds (distance) C4'-P energy: -10.818 bonds (distance) P-C4' energy: -15.548 flat angles C4'-P-C4' energy: -11.503 flat angles P-C4'-P energy: -7.260 tors. eta vs tors. theta energy: -11.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -118.566567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.566567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.566567 (E_RNA) where: Base-Base interactions energy: -61.525 where: short stacking energy: -61.525 Base-Backbone interact. energy: -0.090 local terms energy: -56.951724 where: bonds (distance) C4'-P energy: -11.507 bonds (distance) P-C4' energy: -12.307 flat angles C4'-P-C4' energy: -8.211 flat angles P-C4'-P energy: -10.094 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: 6, replica: 8 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -97.196930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.196930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.196930 (E_RNA) where: Base-Base interactions energy: -40.871 where: short stacking energy: -40.642 Base-Backbone interact. energy: -1.021 local terms energy: -55.304744 where: bonds (distance) C4'-P energy: -12.770 bonds (distance) P-C4' energy: -11.989 flat angles C4'-P-C4' energy: -11.658 flat angles P-C4'-P energy: -9.734 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: 7, replica: 9 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -85.714157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.714157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.714157 (E_RNA) where: Base-Base interactions energy: -39.287 where: short stacking energy: -39.287 Base-Backbone interact. energy: -0.016 local terms energy: -46.410869 where: bonds (distance) C4'-P energy: -10.807 bonds (distance) P-C4' energy: -14.498 flat angles C4'-P-C4' energy: -10.523 flat angles P-C4'-P energy: -4.174 tors. eta vs tors. theta energy: -6.410 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: 5 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -95.213569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.213569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.213569 (E_RNA) where: Base-Base interactions energy: -44.533 where: short stacking energy: -33.072 Base-Backbone interact. energy: -0.420 local terms energy: -50.260211 where: bonds (distance) C4'-P energy: -9.994 bonds (distance) P-C4' energy: -11.384 flat angles C4'-P-C4' energy: -13.632 flat angles P-C4'-P energy: -7.445 tors. eta vs tors. theta energy: -7.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -84.060512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.060512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.060512 (E_RNA) where: Base-Base interactions energy: -38.647 where: short stacking energy: -30.861 Base-Backbone interact. energy: -0.296 local terms energy: -45.117041 where: bonds (distance) C4'-P energy: -10.054 bonds (distance) P-C4' energy: -15.792 flat angles C4'-P-C4' energy: -14.181 flat angles P-C4'-P energy: -5.281 tors. eta vs tors. theta energy: 0.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -80.531916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.531916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.531916 (E_RNA) where: Base-Base interactions energy: -35.069 where: short stacking energy: -32.054 Base-Backbone interact. energy: -0.124 local terms energy: -45.339247 where: bonds (distance) C4'-P energy: -11.420 bonds (distance) P-C4' energy: -9.613 flat angles C4'-P-C4' energy: -14.998 flat angles P-C4'-P energy: -5.505 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: 1, replica: 1 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -161.268423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.268423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.268423 (E_RNA) where: Base-Base interactions energy: -99.884 where: short stacking energy: -64.496 Base-Backbone interact. energy: -0.020 local terms energy: -61.364416 where: bonds (distance) C4'-P energy: -15.026 bonds (distance) P-C4' energy: -14.961 flat angles C4'-P-C4' energy: -9.408 flat angles P-C4'-P energy: -7.217 tors. eta vs tors. theta energy: -14.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -137.832740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.832740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.832740 (E_RNA) where: Base-Base interactions energy: -71.480 where: short stacking energy: -46.580 Base-Backbone interact. energy: -0.042 local terms energy: -66.310948 where: bonds (distance) C4'-P energy: -14.673 bonds (distance) P-C4' energy: -15.064 flat angles C4'-P-C4' energy: -14.490 flat angles P-C4'-P energy: -11.758 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: 3, replica: 7 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -145.175938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.175938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.175938 (E_RNA) where: Base-Base interactions energy: -85.125 where: short stacking energy: -49.710 Base-Backbone interact. energy: -0.990 local terms energy: -59.060607 where: bonds (distance) C4'-P energy: -9.419 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -13.961 flat angles P-C4'-P energy: -10.165 tors. eta vs tors. theta energy: -12.676 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: 376 Temperature: 1.050000 Total energy: -147.126549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.126549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.126549 (E_RNA) where: Base-Base interactions energy: -83.685 where: short stacking energy: -55.510 Base-Backbone interact. energy: -0.042 local terms energy: -63.399852 where: bonds (distance) C4'-P energy: -13.577 bonds (distance) P-C4' energy: -13.805 flat angles C4'-P-C4' energy: -12.597 flat angles P-C4'-P energy: -11.548 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: 5, replica: 8 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -104.096833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.096833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.096833 (E_RNA) where: Base-Base interactions energy: -54.223 where: short stacking energy: -35.954 Base-Backbone interact. energy: 0.232 local terms energy: -50.106547 where: bonds (distance) C4'-P energy: -12.148 bonds (distance) P-C4' energy: -14.296 flat angles C4'-P-C4' energy: -11.213 flat angles P-C4'-P energy: -8.872 tors. eta vs tors. theta energy: -3.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -88.064222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.064222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.064222 (E_RNA) where: Base-Base interactions energy: -44.364 where: short stacking energy: -44.364 Base-Backbone interact. energy: -0.139 local terms energy: -43.560824 where: bonds (distance) C4'-P energy: -7.710 bonds (distance) P-C4' energy: -11.768 flat angles C4'-P-C4' energy: -12.845 flat angles P-C4'-P energy: -2.121 tors. eta vs tors. theta energy: -9.117 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: 376 Temperature: 1.200000 Total energy: -106.054830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.054830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.054830 (E_RNA) where: Base-Base interactions energy: -48.528 where: short stacking energy: -48.528 Base-Backbone interact. energy: -0.116 local terms energy: -57.410966 where: bonds (distance) C4'-P energy: -12.611 bonds (distance) P-C4' energy: -13.026 flat angles C4'-P-C4' energy: -14.410 flat angles P-C4'-P energy: -5.784 tors. eta vs tors. theta energy: -11.580 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: 376 Temperature: 1.250000 Total energy: -88.194703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.194703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.194703 (E_RNA) where: Base-Base interactions energy: -33.164 where: short stacking energy: -28.982 Base-Backbone interact. energy: -0.115 local terms energy: -54.915712 where: bonds (distance) C4'-P energy: -10.563 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -12.617 flat angles P-C4'-P energy: -11.612 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: 9, replica: 2 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -68.341440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.341440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.341440 (E_RNA) where: Base-Base interactions energy: -22.489 where: short stacking energy: -22.489 Base-Backbone interact. energy: -0.078 local terms energy: -45.774659 where: bonds (distance) C4'-P energy: -14.644 bonds (distance) P-C4' energy: -13.912 flat angles C4'-P-C4' energy: -9.371 flat angles P-C4'-P energy: -5.891 tors. eta vs tors. theta energy: -1.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -77.982835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.982835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.982835 (E_RNA) where: Base-Base interactions energy: -31.469 where: short stacking energy: -31.469 Base-Backbone interact. energy: -0.006 local terms energy: -46.507672 where: bonds (distance) C4'-P energy: -11.502 bonds (distance) P-C4' energy: -13.544 flat angles C4'-P-C4' energy: -12.085 flat angles P-C4'-P energy: -5.371 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: 1, replica: 1 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -162.073004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.073004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.073004 (E_RNA) where: Base-Base interactions energy: -100.226 where: short stacking energy: -64.130 Base-Backbone interact. energy: -0.137 local terms energy: -61.709104 where: bonds (distance) C4'-P energy: -11.986 bonds (distance) P-C4' energy: -12.296 flat angles C4'-P-C4' energy: -11.512 flat angles P-C4'-P energy: -7.539 tors. eta vs tors. theta energy: -18.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -162.073600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.073600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.073600 (E_RNA) where: Base-Base interactions energy: -98.313 where: short stacking energy: -61.750 Base-Backbone interact. energy: -0.027 local terms energy: -63.733484 where: bonds (distance) C4'-P energy: -14.939 bonds (distance) P-C4' energy: -10.763 flat angles C4'-P-C4' energy: -15.319 flat angles P-C4'-P energy: -6.913 tors. eta vs tors. theta energy: -15.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -148.612364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.612364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.612364 (E_RNA) where: Base-Base interactions energy: -92.034 where: short stacking energy: -55.444 Base-Backbone interact. energy: -0.465 local terms energy: -56.113213 where: bonds (distance) C4'-P energy: -14.409 bonds (distance) P-C4' energy: -7.920 flat angles C4'-P-C4' energy: -10.176 flat angles P-C4'-P energy: -9.883 tors. eta vs tors. theta energy: -13.726 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: 4 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -153.541975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.541975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.541975 (E_RNA) where: Base-Base interactions energy: -90.216 where: short stacking energy: -56.354 Base-Backbone interact. energy: -0.001 local terms energy: -63.325584 where: bonds (distance) C4'-P energy: -13.713 bonds (distance) P-C4' energy: -11.526 flat angles C4'-P-C4' energy: -13.171 flat angles P-C4'-P energy: -9.346 tors. eta vs tors. theta energy: -15.568 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: 8 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -107.284514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.284514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.284514 (E_RNA) where: Base-Base interactions energy: -51.805 where: short stacking energy: -38.279 Base-Backbone interact. energy: 0.350 local terms energy: -55.829469 where: bonds (distance) C4'-P energy: -12.253 bonds (distance) P-C4' energy: -13.751 flat angles C4'-P-C4' energy: -15.543 flat angles P-C4'-P energy: -8.332 tors. eta vs tors. theta energy: -5.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -99.062007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.062007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.062007 (E_RNA) where: Base-Base interactions energy: -44.536 where: short stacking energy: -44.536 Base-Backbone interact. energy: -0.049 local terms energy: -54.476961 where: bonds (distance) C4'-P energy: -12.936 bonds (distance) P-C4' energy: -10.030 flat angles C4'-P-C4' energy: -13.240 flat angles P-C4'-P energy: -7.001 tors. eta vs tors. theta energy: -11.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -87.313317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.313317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.313317 (E_RNA) where: Base-Base interactions energy: -41.941 where: short stacking energy: -34.470 Base-Backbone interact. energy: -0.004 local terms energy: -45.368286 where: bonds (distance) C4'-P energy: -7.562 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -11.833 flat angles P-C4'-P energy: -9.236 tors. eta vs tors. theta energy: -3.920 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: 8, replica: 2 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -89.203566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.203566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.203566 (E_RNA) where: Base-Base interactions energy: -39.052 where: short stacking energy: -37.831 Base-Backbone interact. energy: -0.067 local terms energy: -50.085014 where: bonds (distance) C4'-P energy: -12.679 bonds (distance) P-C4' energy: -10.787 flat angles C4'-P-C4' energy: -9.956 flat angles P-C4'-P energy: -8.432 tors. eta vs tors. theta energy: -8.232 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: 5 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -83.852764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.852764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.852764 (E_RNA) where: Base-Base interactions energy: -41.178 where: short stacking energy: -41.178 Base-Backbone interact. energy: -0.047 local terms energy: -42.627550 where: bonds (distance) C4'-P energy: -8.344 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: -9.395 tors. eta vs tors. theta energy: -4.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -82.468200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.468200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.468200 (E_RNA) where: Base-Base interactions energy: -42.004 where: short stacking energy: -42.004 Base-Backbone interact. energy: -0.024 local terms energy: -40.440183 where: bonds (distance) C4'-P energy: -13.357 bonds (distance) P-C4' energy: -5.232 flat angles C4'-P-C4' energy: -15.045 flat angles P-C4'-P energy: -0.470 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: 378 Temperature: 0.900000 Total energy: -168.459958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.459958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.459958 (E_RNA) where: Base-Base interactions energy: -107.871 where: short stacking energy: -61.453 Base-Backbone interact. energy: -0.004 local terms energy: -60.584906 where: bonds (distance) C4'-P energy: -11.159 bonds (distance) P-C4' energy: -15.237 flat angles C4'-P-C4' energy: -9.499 flat angles P-C4'-P energy: -10.506 tors. eta vs tors. theta energy: -14.184 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: 1 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -164.078119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.078119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.078119 (E_RNA) where: Base-Base interactions energy: -103.634 where: short stacking energy: -68.017 Base-Backbone interact. energy: -0.010 local terms energy: -60.434354 where: bonds (distance) C4'-P energy: -9.305 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -13.063 flat angles P-C4'-P energy: -6.615 tors. eta vs tors. theta energy: -16.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -148.714480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.714480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.714480 (E_RNA) where: Base-Base interactions energy: -87.646 where: short stacking energy: -52.151 Base-Backbone interact. energy: -0.188 local terms energy: -60.880880 where: bonds (distance) C4'-P energy: -12.189 bonds (distance) P-C4' energy: -14.063 flat angles C4'-P-C4' energy: -12.532 flat angles P-C4'-P energy: -11.502 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: 4 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -142.137678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.137678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.137678 (E_RNA) where: Base-Base interactions energy: -81.174 where: short stacking energy: -47.921 Base-Backbone interact. energy: -0.109 local terms energy: -60.854959 where: bonds (distance) C4'-P energy: -14.893 bonds (distance) P-C4' energy: -13.490 flat angles C4'-P-C4' energy: -13.191 flat angles P-C4'-P energy: -11.586 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: 5, replica: 8 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -104.663754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.663754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.663754 (E_RNA) where: Base-Base interactions energy: -51.039 where: short stacking energy: -51.039 Base-Backbone interact. energy: -0.000 local terms energy: -53.624775 where: bonds (distance) C4'-P energy: -9.188 bonds (distance) P-C4' energy: -13.469 flat angles C4'-P-C4' energy: -12.528 flat angles P-C4'-P energy: -7.494 tors. eta vs tors. theta energy: -10.947 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: 10 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -91.427868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.427868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.427868 (E_RNA) where: Base-Base interactions energy: -34.655 where: short stacking energy: -34.655 Base-Backbone interact. energy: -0.101 local terms energy: -56.672607 where: bonds (distance) C4'-P energy: -13.828 bonds (distance) P-C4' energy: -13.293 flat angles C4'-P-C4' energy: -11.976 flat angles P-C4'-P energy: -9.216 tors. eta vs tors. theta energy: -8.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -82.828768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.828768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.828768 (E_RNA) where: Base-Base interactions energy: -39.591 where: short stacking energy: -35.859 Base-Backbone interact. energy: -0.781 local terms energy: -42.455970 where: bonds (distance) C4'-P energy: -10.711 bonds (distance) P-C4' energy: -13.974 flat angles C4'-P-C4' energy: -7.511 flat angles P-C4'-P energy: -7.859 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: 8, replica: 9 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -72.523548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.523548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.523548 (E_RNA) where: Base-Base interactions energy: -31.127 where: short stacking energy: -29.464 Base-Backbone interact. energy: -0.253 local terms energy: -41.143782 where: bonds (distance) C4'-P energy: -11.259 bonds (distance) P-C4' energy: -13.895 flat angles C4'-P-C4' energy: -7.484 flat angles P-C4'-P energy: -8.760 tors. eta vs tors. theta energy: 0.254 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: 3 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -80.498024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.498024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.498024 (E_RNA) where: Base-Base interactions energy: -36.630 where: short stacking energy: -31.720 Base-Backbone interact. energy: -0.067 local terms energy: -43.801645 where: bonds (distance) C4'-P energy: -11.510 bonds (distance) P-C4' energy: -10.073 flat angles C4'-P-C4' energy: -11.402 flat angles P-C4'-P energy: -6.118 tors. eta vs tors. theta energy: -4.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -77.946146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.946146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.946146 (E_RNA) where: Base-Base interactions energy: -29.283 where: short stacking energy: -28.462 Base-Backbone interact. energy: -0.022 local terms energy: -48.641124 where: bonds (distance) C4'-P energy: -9.097 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -12.767 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -6.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -169.557369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.557369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.557369 (E_RNA) where: Base-Base interactions energy: -102.073 where: short stacking energy: -60.653 Base-Backbone interact. energy: -0.217 local terms energy: -67.268308 where: bonds (distance) C4'-P energy: -11.776 bonds (distance) P-C4' energy: -15.085 flat angles C4'-P-C4' energy: -13.531 flat angles P-C4'-P energy: -10.458 tors. eta vs tors. theta energy: -16.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -166.405808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.405808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.405808 (E_RNA) where: Base-Base interactions energy: -99.719 where: short stacking energy: -66.644 Base-Backbone interact. energy: -0.008 local terms energy: -66.679307 where: bonds (distance) C4'-P energy: -15.134 bonds (distance) P-C4' energy: -10.815 flat angles C4'-P-C4' energy: -12.439 flat angles P-C4'-P energy: -10.954 tors. eta vs tors. theta energy: -17.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -142.689499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.689499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.689499 (E_RNA) where: Base-Base interactions energy: -84.696 where: short stacking energy: -45.382 Base-Backbone interact. energy: 0.279 local terms energy: -58.271651 where: bonds (distance) C4'-P energy: -10.454 bonds (distance) P-C4' energy: -14.271 flat angles C4'-P-C4' energy: -15.029 flat angles P-C4'-P energy: -9.712 tors. eta vs tors. theta energy: -8.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -136.719917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.719917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.719917 (E_RNA) where: Base-Base interactions energy: -83.494 where: short stacking energy: -47.853 Base-Backbone interact. energy: 0.431 local terms energy: -53.657132 where: bonds (distance) C4'-P energy: -13.978 bonds (distance) P-C4' energy: -13.075 flat angles C4'-P-C4' energy: -9.156 flat angles P-C4'-P energy: -9.703 tors. eta vs tors. theta energy: -7.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -112.929242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.929242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.929242 (E_RNA) where: Base-Base interactions energy: -60.591 where: short stacking energy: -44.849 Base-Backbone interact. energy: -0.249 local terms energy: -52.089179 where: bonds (distance) C4'-P energy: -11.137 bonds (distance) P-C4' energy: -9.798 flat angles C4'-P-C4' energy: -14.859 flat angles P-C4'-P energy: -7.860 tors. eta vs tors. theta energy: -8.435 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: 2 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -99.067376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.067376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.067376 (E_RNA) where: Base-Base interactions energy: -42.118 where: short stacking energy: -42.118 Base-Backbone interact. energy: -0.037 local terms energy: -56.912016 where: bonds (distance) C4'-P energy: -14.037 bonds (distance) P-C4' energy: -12.955 flat angles C4'-P-C4' energy: -10.921 flat angles P-C4'-P energy: -8.621 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: 7, replica: 10 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -99.363996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.363996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.363996 (E_RNA) where: Base-Base interactions energy: -51.462 where: short stacking energy: -38.504 Base-Backbone interact. energy: -0.036 local terms energy: -47.865675 where: bonds (distance) C4'-P energy: -13.812 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -5.811 tors. eta vs tors. theta energy: -9.599 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: 379 Temperature: 1.250000 Total energy: -90.693655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.693655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.693655 (E_RNA) where: Base-Base interactions energy: -46.120 where: short stacking energy: -46.120 Base-Backbone interact. energy: -0.005 local terms energy: -44.569310 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -10.575 flat angles C4'-P-C4' energy: -9.918 flat angles P-C4'-P energy: -8.322 tors. eta vs tors. theta energy: -9.150 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: 3 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -82.058120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.058120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.058120 (E_RNA) where: Base-Base interactions energy: -39.711 where: short stacking energy: -39.711 Base-Backbone interact. energy: -0.068 local terms energy: -42.279260 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -14.121 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -8.850 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: 10, replica: 5 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -62.766707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.766707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.766707 (E_RNA) where: Base-Base interactions energy: -18.614 where: short stacking energy: -18.614 Base-Backbone interact. energy: -0.065 local terms energy: -44.087474 where: bonds (distance) C4'-P energy: -14.040 bonds (distance) P-C4' energy: -15.566 flat angles C4'-P-C4' energy: -11.424 flat angles P-C4'-P energy: -5.379 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: 1, replica: 7 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -145.873249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.873249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.873249 (E_RNA) where: Base-Base interactions energy: -86.300 where: short stacking energy: -54.106 Base-Backbone interact. energy: -0.074 local terms energy: -59.499110 where: bonds (distance) C4'-P energy: -12.831 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -12.458 flat angles P-C4'-P energy: -10.268 tors. eta vs tors. theta energy: -9.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -161.226442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.226442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.226442 (E_RNA) where: Base-Base interactions energy: -99.398 where: short stacking energy: -64.326 Base-Backbone interact. energy: -0.007 local terms energy: -61.821739 where: bonds (distance) C4'-P energy: -10.570 bonds (distance) P-C4' energy: -11.213 flat angles C4'-P-C4' energy: -13.123 flat angles P-C4'-P energy: -9.937 tors. eta vs tors. theta energy: -16.979 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: 4 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -151.880519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.880519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.880519 (E_RNA) where: Base-Base interactions energy: -93.360 where: short stacking energy: -57.049 Base-Backbone interact. energy: -0.037 local terms energy: -58.483242 where: bonds (distance) C4'-P energy: -9.858 bonds (distance) P-C4' energy: -13.442 flat angles C4'-P-C4' energy: -13.607 flat angles P-C4'-P energy: -9.397 tors. eta vs tors. theta energy: -12.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -148.862116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.862116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.862116 (E_RNA) where: Base-Base interactions energy: -94.454 where: short stacking energy: -64.176 Base-Backbone interact. energy: -0.264 local terms energy: -54.144323 where: bonds (distance) C4'-P energy: -12.335 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -11.832 flat angles P-C4'-P energy: -7.117 tors. eta vs tors. theta energy: -10.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -129.970762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.970762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.970762 (E_RNA) where: Base-Base interactions energy: -72.045 where: short stacking energy: -43.635 Base-Backbone interact. energy: -1.054 local terms energy: -56.870941 where: bonds (distance) C4'-P energy: -10.799 bonds (distance) P-C4' energy: -14.121 flat angles C4'-P-C4' energy: -13.445 flat angles P-C4'-P energy: -6.825 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: 6, replica: 2 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -93.944836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.944836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.944836 (E_RNA) where: Base-Base interactions energy: -41.375 where: short stacking energy: -40.762 Base-Backbone interact. energy: -0.010 local terms energy: -52.559110 where: bonds (distance) C4'-P energy: -10.222 bonds (distance) P-C4' energy: -13.016 flat angles C4'-P-C4' energy: -11.065 flat angles P-C4'-P energy: -7.852 tors. eta vs tors. theta energy: -10.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -84.088999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.088999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.088999 (E_RNA) where: Base-Base interactions energy: -30.195 where: short stacking energy: -29.687 Base-Backbone interact. energy: -0.003 local terms energy: -53.891102 where: bonds (distance) C4'-P energy: -13.100 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -12.190 flat angles P-C4'-P energy: -9.564 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: 8, replica: 10 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -99.335867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.335867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.335867 (E_RNA) where: Base-Base interactions energy: -42.870 where: short stacking energy: -41.263 Base-Backbone interact. energy: -1.037 local terms energy: -55.429247 where: bonds (distance) C4'-P energy: -9.870 bonds (distance) P-C4' energy: -14.255 flat angles C4'-P-C4' energy: -11.595 flat angles P-C4'-P energy: -9.801 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: 9, replica: 3 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -83.629710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.629710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.629710 (E_RNA) where: Base-Base interactions energy: -40.363 where: short stacking energy: -37.198 Base-Backbone interact. energy: -0.294 local terms energy: -42.973173 where: bonds (distance) C4'-P energy: -11.779 bonds (distance) P-C4' energy: -11.434 flat angles C4'-P-C4' energy: -8.839 flat angles P-C4'-P energy: -7.060 tors. eta vs tors. theta energy: -3.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -72.875833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.875833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.875833 (E_RNA) where: Base-Base interactions energy: -32.808 where: short stacking energy: -21.952 Base-Backbone interact. energy: -0.651 local terms energy: -39.416831 where: bonds (distance) C4'-P energy: -13.713 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -10.249 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: 1.543 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: 381 Temperature: 0.900000 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: -88.824 where: short stacking energy: -57.043 Base-Backbone interact. energy: -0.001 local terms energy: -55.696940 where: bonds (distance) C4'-P energy: -10.939 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -11.871 flat angles P-C4'-P energy: -8.029 tors. eta vs tors. theta energy: -11.823 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: 6 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -162.863905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.863905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.863905 (E_RNA) where: Base-Base interactions energy: -97.131 where: short stacking energy: -63.062 Base-Backbone interact. energy: -0.000 local terms energy: -65.732847 where: bonds (distance) C4'-P energy: -13.515 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -12.014 flat angles P-C4'-P energy: -10.154 tors. eta vs tors. theta energy: -14.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -150.803921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.803921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.803921 (E_RNA) where: Base-Base interactions energy: -88.279 where: short stacking energy: -52.883 Base-Backbone interact. energy: -0.565 local terms energy: -61.959730 where: bonds (distance) C4'-P energy: -13.588 bonds (distance) P-C4' energy: -14.275 flat angles C4'-P-C4' energy: -15.179 flat angles P-C4'-P energy: -6.347 tors. eta vs tors. theta energy: -12.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -151.809767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.809767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.809767 (E_RNA) where: Base-Base interactions energy: -94.095 where: short stacking energy: -53.772 Base-Backbone interact. energy: -1.245 local terms energy: -56.469280 where: bonds (distance) C4'-P energy: -9.724 bonds (distance) P-C4' energy: -12.912 flat angles C4'-P-C4' energy: -11.743 flat angles P-C4'-P energy: -8.648 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: 8 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -145.729817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.729817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.729817 (E_RNA) where: Base-Base interactions energy: -93.212 where: short stacking energy: -66.534 Base-Backbone interact. energy: -0.013 local terms energy: -52.504710 where: bonds (distance) C4'-P energy: -8.832 bonds (distance) P-C4' energy: -8.575 flat angles C4'-P-C4' energy: -12.925 flat angles P-C4'-P energy: -9.097 tors. eta vs tors. theta energy: -13.077 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: 9 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -98.432307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.432307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.432307 (E_RNA) where: Base-Base interactions energy: -45.291 where: short stacking energy: -34.642 Base-Backbone interact. energy: -0.092 local terms energy: -53.049158 where: bonds (distance) C4'-P energy: -14.512 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -7.983 flat angles P-C4'-P energy: -9.218 tors. eta vs tors. theta energy: -7.397 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: 2 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -115.643611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.643611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.643611 (E_RNA) where: Base-Base interactions energy: -70.791 where: short stacking energy: -39.992 Base-Backbone interact. energy: -0.017 local terms energy: -44.835430 where: bonds (distance) C4'-P energy: -13.887 bonds (distance) P-C4' energy: -10.845 flat angles C4'-P-C4' energy: -10.839 flat angles P-C4'-P energy: -4.535 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: 8, replica: 3 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -95.769921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.769921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.769921 (E_RNA) where: Base-Base interactions energy: -51.170 where: short stacking energy: -37.082 Base-Backbone interact. energy: -0.003 local terms energy: -44.596951 where: bonds (distance) C4'-P energy: -13.382 bonds (distance) P-C4' energy: -7.515 flat angles C4'-P-C4' energy: -12.912 flat angles P-C4'-P energy: -3.054 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: 9, replica: 10 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -101.223265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.223265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.223265 (E_RNA) where: Base-Base interactions energy: -44.538 where: short stacking energy: -43.735 Base-Backbone interact. energy: -0.052 local terms energy: -56.632622 where: bonds (distance) C4'-P energy: -13.826 bonds (distance) P-C4' energy: -12.180 flat angles C4'-P-C4' energy: -13.603 flat angles P-C4'-P energy: -7.506 tors. eta vs tors. theta energy: -9.518 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: 5 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -80.497780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.497780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.497780 (E_RNA) where: Base-Base interactions energy: -31.744 where: short stacking energy: -32.235 Base-Backbone interact. energy: -0.291 local terms energy: -48.462380 where: bonds (distance) C4'-P energy: -10.305 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -9.362 flat angles P-C4'-P energy: -10.002 tors. eta vs tors. theta energy: -5.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -142.611485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.611485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.611485 (E_RNA) where: Base-Base interactions energy: -84.228 where: short stacking energy: -51.750 Base-Backbone interact. energy: -0.625 local terms energy: -57.758752 where: bonds (distance) C4'-P energy: -13.953 bonds (distance) P-C4' energy: -14.201 flat angles C4'-P-C4' energy: -12.565 flat angles P-C4'-P energy: -9.557 tors. eta vs tors. theta energy: -7.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -170.107334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.107334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.107334 (E_RNA) where: Base-Base interactions energy: -106.084 where: short stacking energy: -68.937 Base-Backbone interact. energy: -0.140 local terms energy: -63.883319 where: bonds (distance) C4'-P energy: -11.010 bonds (distance) P-C4' energy: -13.215 flat angles C4'-P-C4' energy: -14.471 flat angles P-C4'-P energy: -7.865 tors. eta vs tors. theta energy: -17.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -156.227336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.227336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.227336 (E_RNA) where: Base-Base interactions energy: -95.953 where: short stacking energy: -58.208 Base-Backbone interact. energy: -0.001 local terms energy: -60.273356 where: bonds (distance) C4'-P energy: -10.657 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -12.569 flat angles P-C4'-P energy: -8.603 tors. eta vs tors. theta energy: -15.130 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: 1 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -147.294095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.294095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.294095 (E_RNA) where: Base-Base interactions energy: -86.866 where: short stacking energy: -54.331 Base-Backbone interact. energy: -0.100 local terms energy: -60.328401 where: bonds (distance) C4'-P energy: -12.557 bonds (distance) P-C4' energy: -13.486 flat angles C4'-P-C4' energy: -13.642 flat angles P-C4'-P energy: -9.432 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: 5, replica: 8 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -139.849637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.849637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.849637 (E_RNA) where: Base-Base interactions energy: -82.758 where: short stacking energy: -50.035 Base-Backbone interact. energy: -0.271 local terms energy: -56.820605 where: bonds (distance) C4'-P energy: -13.109 bonds (distance) P-C4' energy: -13.632 flat angles C4'-P-C4' energy: -13.272 flat angles P-C4'-P energy: -6.356 tors. eta vs tors. theta energy: -10.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -98.836337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.836337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.836337 (E_RNA) where: Base-Base interactions energy: -42.741 where: short stacking energy: -39.819 Base-Backbone interact. energy: -0.086 local terms energy: -56.009082 where: bonds (distance) C4'-P energy: -13.461 bonds (distance) P-C4' energy: -13.060 flat angles C4'-P-C4' energy: -13.166 flat angles P-C4'-P energy: -5.466 tors. eta vs tors. theta energy: -10.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -121.607872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.607872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.607872 (E_RNA) where: Base-Base interactions energy: -68.718 where: short stacking energy: -36.045 Base-Backbone interact. energy: -0.005 local terms energy: -52.885324 where: bonds (distance) C4'-P energy: -14.330 bonds (distance) P-C4' energy: -11.721 flat angles C4'-P-C4' energy: -12.542 flat angles P-C4'-P energy: -5.640 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: 8, replica: 3 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -82.461167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.461167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.461167 (E_RNA) where: Base-Base interactions energy: -38.633 where: short stacking energy: -34.582 Base-Backbone interact. energy: -0.041 local terms energy: -43.786805 where: bonds (distance) C4'-P energy: -12.185 bonds (distance) P-C4' energy: -14.851 flat angles C4'-P-C4' energy: -9.239 flat angles P-C4'-P energy: -3.983 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: 9, replica: 5 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -83.948658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.948658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.948658 (E_RNA) where: Base-Base interactions energy: -37.313 where: short stacking energy: -35.895 Base-Backbone interact. energy: -0.043 local terms energy: -46.592815 where: bonds (distance) C4'-P energy: -12.070 bonds (distance) P-C4' energy: -11.061 flat angles C4'-P-C4' energy: -4.422 flat angles P-C4'-P energy: -9.291 tors. eta vs tors. theta energy: -9.748 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: 10 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -67.719932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.719932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.719932 (E_RNA) where: Base-Base interactions energy: -23.244 where: short stacking energy: -25.639 Base-Backbone interact. energy: 0.989 local terms energy: -45.464879 where: bonds (distance) C4'-P energy: -9.247 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -12.437 flat angles P-C4'-P energy: -7.164 tors. eta vs tors. theta energy: -3.356 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: 7 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -141.275402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.275402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.275402 (E_RNA) where: Base-Base interactions energy: -80.035 where: short stacking energy: -49.822 Base-Backbone interact. energy: -0.590 local terms energy: -60.650261 where: bonds (distance) C4'-P energy: -14.107 bonds (distance) P-C4' energy: -14.317 flat angles C4'-P-C4' energy: -12.732 flat angles P-C4'-P energy: -10.463 tors. eta vs tors. theta energy: -9.032 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: 4 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -151.786550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.786550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.786550 (E_RNA) where: Base-Base interactions energy: -94.374 where: short stacking energy: -54.654 Base-Backbone interact. energy: -0.115 local terms energy: -57.297603 where: bonds (distance) C4'-P energy: -10.248 bonds (distance) P-C4' energy: -12.395 flat angles C4'-P-C4' energy: -12.805 flat angles P-C4'-P energy: -10.292 tors. eta vs tors. theta energy: -11.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -156.030029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.030029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.030029 (E_RNA) where: Base-Base interactions energy: -99.856 where: short stacking energy: -62.499 Base-Backbone interact. energy: -0.040 local terms energy: -56.134584 where: bonds (distance) C4'-P energy: -9.788 bonds (distance) P-C4' energy: -10.952 flat angles C4'-P-C4' energy: -13.955 flat angles P-C4'-P energy: -7.015 tors. eta vs tors. theta energy: -14.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -145.841638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.841638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.841638 (E_RNA) where: Base-Base interactions energy: -86.830 where: short stacking energy: -44.787 Base-Backbone interact. energy: -0.062 local terms energy: -58.950115 where: bonds (distance) C4'-P energy: -9.821 bonds (distance) P-C4' energy: -12.683 flat angles C4'-P-C4' energy: -12.943 flat angles P-C4'-P energy: -9.336 tors. eta vs tors. theta energy: -14.167 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: 5, replica: 8 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -134.547550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.547550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.547550 (E_RNA) where: Base-Base interactions energy: -78.397 where: short stacking energy: -46.814 Base-Backbone interact. energy: -0.122 local terms energy: -56.029053 where: bonds (distance) C4'-P energy: -13.353 bonds (distance) P-C4' energy: -9.179 flat angles C4'-P-C4' energy: -13.279 flat angles P-C4'-P energy: -8.172 tors. eta vs tors. theta energy: -12.046 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: 2 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -116.243339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.243339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.243339 (E_RNA) where: Base-Base interactions energy: -69.539 where: short stacking energy: -42.514 Base-Backbone interact. energy: -0.011 local terms energy: -46.693451 where: bonds (distance) C4'-P energy: -9.953 bonds (distance) P-C4' energy: -12.151 flat angles C4'-P-C4' energy: -13.730 flat angles P-C4'-P energy: -4.180 tors. eta vs tors. theta energy: -6.680 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: 9 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -88.087725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.087725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.087725 (E_RNA) where: Base-Base interactions energy: -32.838 where: short stacking energy: -32.838 Base-Backbone interact. energy: -0.190 local terms energy: -55.059861 where: bonds (distance) C4'-P energy: -13.486 bonds (distance) P-C4' energy: -13.688 flat angles C4'-P-C4' energy: -15.155 flat angles P-C4'-P energy: -7.295 tors. eta vs tors. theta energy: -5.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -81.657066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.657066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.657066 (E_RNA) where: Base-Base interactions energy: -34.909 where: short stacking energy: -34.909 Base-Backbone interact. energy: -0.129 local terms energy: -46.619448 where: bonds (distance) C4'-P energy: -5.455 bonds (distance) P-C4' energy: -13.616 flat angles C4'-P-C4' energy: -11.195 flat angles P-C4'-P energy: -10.450 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: 3 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -75.430799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.430799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.430799 (E_RNA) where: Base-Base interactions energy: -27.116 where: short stacking energy: -22.437 Base-Backbone interact. energy: -0.181 local terms energy: -48.133474 where: bonds (distance) C4'-P energy: -12.740 bonds (distance) P-C4' energy: -10.941 flat angles C4'-P-C4' energy: -16.026 flat angles P-C4'-P energy: -6.617 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: 10, replica: 10 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -72.490544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.490544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.490544 (E_RNA) where: Base-Base interactions energy: -29.847 where: short stacking energy: -28.090 Base-Backbone interact. energy: 0.359 local terms energy: -43.002443 where: bonds (distance) C4'-P energy: -14.202 bonds (distance) P-C4' energy: -11.457 flat angles C4'-P-C4' energy: -7.142 flat angles P-C4'-P energy: -8.940 tors. eta vs tors. theta energy: -1.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -162.928458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.928458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.928458 (E_RNA) where: Base-Base interactions energy: -102.165 where: short stacking energy: -54.840 Base-Backbone interact. energy: -0.130 local terms energy: -60.632814 where: bonds (distance) C4'-P energy: -11.685 bonds (distance) P-C4' energy: -12.284 flat angles C4'-P-C4' energy: -14.574 flat angles P-C4'-P energy: -9.495 tors. eta vs tors. theta energy: -12.595 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: 7 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -147.183465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.183465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.183465 (E_RNA) where: Base-Base interactions energy: -87.697 where: short stacking energy: -58.772 Base-Backbone interact. energy: -0.020 local terms energy: -59.465845 where: bonds (distance) C4'-P energy: -8.397 bonds (distance) P-C4' energy: -14.124 flat angles C4'-P-C4' energy: -13.008 flat angles P-C4'-P energy: -9.507 tors. eta vs tors. theta energy: -14.430 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: 1 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -157.135346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.135346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.135346 (E_RNA) where: Base-Base interactions energy: -97.691 where: short stacking energy: -58.406 Base-Backbone interact. energy: -0.396 local terms energy: -59.047787 where: bonds (distance) C4'-P energy: -13.419 bonds (distance) P-C4' energy: -12.309 flat angles C4'-P-C4' energy: -9.054 flat angles P-C4'-P energy: -8.803 tors. eta vs tors. theta energy: -15.463 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: 6 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -138.938563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.938563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.938563 (E_RNA) where: Base-Base interactions energy: -78.859 where: short stacking energy: -49.913 Base-Backbone interact. energy: -0.054 local terms energy: -60.025487 where: bonds (distance) C4'-P energy: -12.782 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -12.270 flat angles P-C4'-P energy: -7.567 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: 5, replica: 2 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -134.671695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.671695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.671695 (E_RNA) where: Base-Base interactions energy: -87.878 where: short stacking energy: -54.628 Base-Backbone interact. energy: -0.071 local terms energy: -46.722193 where: bonds (distance) C4'-P energy: -9.148 bonds (distance) P-C4' energy: -11.237 flat angles C4'-P-C4' energy: -7.644 flat angles P-C4'-P energy: -7.694 tors. eta vs tors. theta energy: -10.999 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: 8 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -125.945994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.945994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.945994 (E_RNA) where: Base-Base interactions energy: -67.887 where: short stacking energy: -39.893 Base-Backbone interact. energy: -0.091 local terms energy: -57.968111 where: bonds (distance) C4'-P energy: -12.563 bonds (distance) P-C4' energy: -11.369 flat angles C4'-P-C4' energy: -14.633 flat angles P-C4'-P energy: -8.232 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: 7, replica: 5 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -88.254434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.254434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.254434 (E_RNA) where: Base-Base interactions energy: -39.404 where: short stacking energy: -38.728 Base-Backbone interact. energy: -0.018 local terms energy: -48.832073 where: bonds (distance) C4'-P energy: -13.461 bonds (distance) P-C4' energy: -6.943 flat angles C4'-P-C4' energy: -9.983 flat angles P-C4'-P energy: -7.692 tors. eta vs tors. theta energy: -10.752 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: 9 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -78.467029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.467029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.467029 (E_RNA) where: Base-Base interactions energy: -30.733 where: short stacking energy: -29.477 Base-Backbone interact. energy: -0.141 local terms energy: -47.592773 where: bonds (distance) C4'-P energy: -13.879 bonds (distance) P-C4' energy: -12.275 flat angles C4'-P-C4' energy: -11.346 flat angles P-C4'-P energy: -6.489 tors. eta vs tors. theta energy: -3.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -81.735874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.735874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.735874 (E_RNA) where: Base-Base interactions energy: -37.776 where: short stacking energy: -28.954 Base-Backbone interact. energy: -0.089 local terms energy: -43.871684 where: bonds (distance) C4'-P energy: -11.705 bonds (distance) P-C4' energy: -14.379 flat angles C4'-P-C4' energy: -12.279 flat angles P-C4'-P energy: -0.538 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: 10, replica: 3 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -81.270949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.270949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.270949 (E_RNA) where: Base-Base interactions energy: -30.283 where: short stacking energy: -26.733 Base-Backbone interact. energy: -1.115 local terms energy: -49.872896 where: bonds (distance) C4'-P energy: -12.248 bonds (distance) P-C4' energy: -13.473 flat angles C4'-P-C4' energy: -11.901 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: -8.165 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: 385 Temperature: 0.900000 Total energy: -170.416527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.416527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.416527 (E_RNA) where: Base-Base interactions energy: -106.774 where: short stacking energy: -68.968 Base-Backbone interact. energy: -0.165 local terms energy: -63.478111 where: bonds (distance) C4'-P energy: -13.916 bonds (distance) P-C4' energy: -10.287 flat angles C4'-P-C4' energy: -13.092 flat angles P-C4'-P energy: -9.178 tors. eta vs tors. theta energy: -17.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -162.939980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.939980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.939980 (E_RNA) where: Base-Base interactions energy: -103.523 where: short stacking energy: -59.068 Base-Backbone interact. energy: -0.001 local terms energy: -59.415819 where: bonds (distance) C4'-P energy: -12.724 bonds (distance) P-C4' energy: -14.067 flat angles C4'-P-C4' energy: -11.347 flat angles P-C4'-P energy: -10.429 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: 3, replica: 7 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -127.862618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.862618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.862618 (E_RNA) where: Base-Base interactions energy: -79.598 where: short stacking energy: -52.952 Base-Backbone interact. energy: -0.058 local terms energy: -48.206244 where: bonds (distance) C4'-P energy: -11.061 bonds (distance) P-C4' energy: -11.194 flat angles C4'-P-C4' energy: -13.021 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: -8.672 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: 6 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -135.553062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.553062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.553062 (E_RNA) where: Base-Base interactions energy: -76.526 where: short stacking energy: -47.882 Base-Backbone interact. energy: -0.081 local terms energy: -58.945716 where: bonds (distance) C4'-P energy: -15.207 bonds (distance) P-C4' energy: -13.931 flat angles C4'-P-C4' energy: -12.031 flat angles P-C4'-P energy: -8.110 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: 2 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -130.208901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.208901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.208901 (E_RNA) where: Base-Base interactions energy: -74.143 where: short stacking energy: -45.171 Base-Backbone interact. energy: -0.016 local terms energy: -56.049947 where: bonds (distance) C4'-P energy: -10.045 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -15.287 flat angles P-C4'-P energy: -8.079 tors. eta vs tors. theta energy: -7.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -117.843094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.843094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.843094 (E_RNA) where: Base-Base interactions energy: -70.984 where: short stacking energy: -44.734 Base-Backbone interact. energy: 0.313 local terms energy: -47.172299 where: bonds (distance) C4'-P energy: -12.632 bonds (distance) P-C4' energy: -11.105 flat angles C4'-P-C4' energy: -13.406 flat angles P-C4'-P energy: -6.218 tors. eta vs tors. theta energy: -3.812 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: 5 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -95.055446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.055446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.055446 (E_RNA) where: Base-Base interactions energy: -41.596 where: short stacking energy: -40.288 Base-Backbone interact. energy: -0.092 local terms energy: -53.367821 where: bonds (distance) C4'-P energy: -13.137 bonds (distance) P-C4' energy: -11.912 flat angles C4'-P-C4' energy: -11.460 flat angles P-C4'-P energy: -10.717 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: 8, replica: 9 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -77.549934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.549934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.549934 (E_RNA) where: Base-Base interactions energy: -28.561 where: short stacking energy: -26.748 Base-Backbone interact. energy: -0.170 local terms energy: -48.819726 where: bonds (distance) C4'-P energy: -12.070 bonds (distance) P-C4' energy: -13.486 flat angles C4'-P-C4' energy: -13.841 flat angles P-C4'-P energy: -10.013 tors. eta vs tors. theta energy: 0.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -71.015389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.015389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.015389 (E_RNA) where: Base-Base interactions energy: -28.387 where: short stacking energy: -28.387 Base-Backbone interact. energy: -0.102 local terms energy: -42.525870 where: bonds (distance) C4'-P energy: -10.898 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -10.805 flat angles P-C4'-P energy: -6.493 tors. eta vs tors. theta energy: -0.095 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: 385 Temperature: 1.350000 Total energy: -78.107041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.107041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.107041 (E_RNA) where: Base-Base interactions energy: -34.718 where: short stacking energy: -34.718 Base-Backbone interact. energy: -0.060 local terms energy: -43.328454 where: bonds (distance) C4'-P energy: -10.629 bonds (distance) P-C4' energy: -12.599 flat angles C4'-P-C4' energy: -11.295 flat angles P-C4'-P energy: -2.553 tors. eta vs tors. theta energy: -6.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -156.849348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.849348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.849348 (E_RNA) where: Base-Base interactions energy: -101.645 where: short stacking energy: -66.610 Base-Backbone interact. energy: -0.675 local terms energy: -54.529217 where: bonds (distance) C4'-P energy: -8.663 bonds (distance) P-C4' energy: -11.045 flat angles C4'-P-C4' energy: -10.585 flat angles P-C4'-P energy: -10.349 tors. eta vs tors. theta energy: -13.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -151.465221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.465221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.465221 (E_RNA) where: Base-Base interactions energy: -92.032 where: short stacking energy: -59.863 Base-Backbone interact. energy: -0.071 local terms energy: -59.362231 where: bonds (distance) C4'-P energy: -10.750 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -12.684 flat angles P-C4'-P energy: -9.755 tors. eta vs tors. theta energy: -12.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -144.331546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.331546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.331546 (E_RNA) where: Base-Base interactions energy: -91.710 where: short stacking energy: -59.214 Base-Backbone interact. energy: -0.280 local terms energy: -52.342018 where: bonds (distance) C4'-P energy: -12.917 bonds (distance) P-C4' energy: -11.374 flat angles C4'-P-C4' energy: -13.592 flat angles P-C4'-P energy: -2.732 tors. eta vs tors. theta energy: -11.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -141.925611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.925611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.925611 (E_RNA) where: Base-Base interactions energy: -81.485 where: short stacking energy: -50.178 Base-Backbone interact. energy: -0.167 local terms energy: -60.273397 where: bonds (distance) C4'-P energy: -12.317 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -10.123 flat angles P-C4'-P energy: -11.326 tors. eta vs tors. theta energy: -13.235 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: 8 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -130.406607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.406607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.406607 (E_RNA) where: Base-Base interactions energy: -79.204 where: short stacking energy: -47.179 Base-Backbone interact. energy: 0.214 local terms energy: -51.416680 where: bonds (distance) C4'-P energy: -12.193 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -7.477 flat angles P-C4'-P energy: -8.615 tors. eta vs tors. theta energy: -8.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -117.847247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.847247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.847247 (E_RNA) where: Base-Base interactions energy: -63.893 where: short stacking energy: -38.352 Base-Backbone interact. energy: -0.019 local terms energy: -53.935368 where: bonds (distance) C4'-P energy: -12.388 bonds (distance) P-C4' energy: -13.410 flat angles C4'-P-C4' energy: -13.051 flat angles P-C4'-P energy: -6.889 tors. eta vs tors. theta energy: -8.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -98.414592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.414592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.414592 (E_RNA) where: Base-Base interactions energy: -41.611 where: short stacking energy: -36.684 Base-Backbone interact. energy: -0.051 local terms energy: -56.752059 where: bonds (distance) C4'-P energy: -13.818 bonds (distance) P-C4' energy: -15.531 flat angles C4'-P-C4' energy: -12.286 flat angles P-C4'-P energy: -8.986 tors. eta vs tors. theta energy: -6.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -78.640345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.640345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.640345 (E_RNA) where: Base-Base interactions energy: -30.017 where: short stacking energy: -29.255 Base-Backbone interact. energy: -0.233 local terms energy: -48.390645 where: bonds (distance) C4'-P energy: -13.072 bonds (distance) P-C4' energy: -14.755 flat angles C4'-P-C4' energy: -9.264 flat angles P-C4'-P energy: -7.719 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: 9, replica: 3 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -78.850328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.850328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.850328 (E_RNA) where: Base-Base interactions energy: -37.175 where: short stacking energy: -32.100 Base-Backbone interact. energy: 1.278 local terms energy: -42.954023 where: bonds (distance) C4'-P energy: -11.266 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -8.242 tors. eta vs tors. theta energy: -2.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -75.859240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.859240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.859240 (E_RNA) where: Base-Base interactions energy: -32.243 where: short stacking energy: -32.243 Base-Backbone interact. energy: -0.001 local terms energy: -43.615365 where: bonds (distance) C4'-P energy: -11.440 bonds (distance) P-C4' energy: -11.134 flat angles C4'-P-C4' energy: -11.277 flat angles P-C4'-P energy: -5.667 tors. eta vs tors. theta energy: -4.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -158.207954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.207954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.207954 (E_RNA) where: Base-Base interactions energy: -95.373 where: short stacking energy: -60.124 Base-Backbone interact. energy: -0.298 local terms energy: -62.537029 where: bonds (distance) C4'-P energy: -9.651 bonds (distance) P-C4' energy: -15.212 flat angles C4'-P-C4' energy: -14.212 flat angles P-C4'-P energy: -10.321 tors. eta vs tors. theta energy: -13.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -159.310720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.310720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.310720 (E_RNA) where: Base-Base interactions energy: -96.336 where: short stacking energy: -64.876 Base-Backbone interact. energy: -0.061 local terms energy: -62.913582 where: bonds (distance) C4'-P energy: -13.643 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -10.880 flat angles P-C4'-P energy: -7.625 tors. eta vs tors. theta energy: -15.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -152.572683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.572683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.572683 (E_RNA) where: Base-Base interactions energy: -90.298 where: short stacking energy: -55.778 Base-Backbone interact. energy: -0.004 local terms energy: -62.270083 where: bonds (distance) C4'-P energy: -13.373 bonds (distance) P-C4' energy: -11.034 flat angles C4'-P-C4' energy: -13.068 flat angles P-C4'-P energy: -8.726 tors. eta vs tors. theta energy: -16.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -129.788822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.788822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.788822 (E_RNA) where: Base-Base interactions energy: -71.829 where: short stacking energy: -44.450 Base-Backbone interact. energy: -1.193 local terms energy: -56.766805 where: bonds (distance) C4'-P energy: -14.272 bonds (distance) P-C4' energy: -14.640 flat angles C4'-P-C4' energy: -9.326 flat angles P-C4'-P energy: -8.297 tors. eta vs tors. theta energy: -10.232 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: 7 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -119.892928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.892928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.892928 (E_RNA) where: Base-Base interactions energy: -63.448 where: short stacking energy: -39.008 Base-Backbone interact. energy: -0.349 local terms energy: -56.095860 where: bonds (distance) C4'-P energy: -14.024 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -13.026 flat angles P-C4'-P energy: -8.889 tors. eta vs tors. theta energy: -5.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -133.687125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.687125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.687125 (E_RNA) where: Base-Base interactions energy: -74.023 where: short stacking energy: -50.278 Base-Backbone interact. energy: -0.188 local terms energy: -59.475721 where: bonds (distance) C4'-P energy: -15.287 bonds (distance) P-C4' energy: -13.454 flat angles C4'-P-C4' energy: -12.238 flat angles P-C4'-P energy: -6.149 tors. eta vs tors. theta energy: -12.349 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: 387 Temperature: 1.200000 Total energy: -87.668676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.668676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.668676 (E_RNA) where: Base-Base interactions energy: -37.458 where: short stacking energy: -33.612 Base-Backbone interact. energy: -0.280 local terms energy: -49.930353 where: bonds (distance) C4'-P energy: -12.318 bonds (distance) P-C4' energy: -11.747 flat angles C4'-P-C4' energy: -11.653 flat angles P-C4'-P energy: -7.727 tors. eta vs tors. theta energy: -6.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -89.476255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.476255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.476255 (E_RNA) where: Base-Base interactions energy: -40.953 where: short stacking energy: -40.060 Base-Backbone interact. energy: -0.047 local terms energy: -48.475656 where: bonds (distance) C4'-P energy: -7.304 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -11.840 flat angles P-C4'-P energy: -8.783 tors. eta vs tors. theta energy: -7.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -72.705760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.705760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.705760 (E_RNA) where: Base-Base interactions energy: -35.593 where: short stacking energy: -30.880 Base-Backbone interact. energy: -0.155 local terms energy: -36.958222 where: bonds (distance) C4'-P energy: -10.943 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.962 flat angles P-C4'-P energy: -6.371 tors. eta vs tors. theta energy: -3.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -99.887520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.887520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.887520 (E_RNA) where: Base-Base interactions energy: -54.445 where: short stacking energy: -29.889 Base-Backbone interact. energy: -0.025 local terms energy: -45.417277 where: bonds (distance) C4'-P energy: -6.678 bonds (distance) P-C4' energy: -16.261 flat angles C4'-P-C4' energy: -10.979 flat angles P-C4'-P energy: -7.485 tors. eta vs tors. theta energy: -4.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -172.219648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.219648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.219648 (E_RNA) where: Base-Base interactions energy: -104.441 where: short stacking energy: -65.938 Base-Backbone interact. energy: -0.000 local terms energy: -67.778697 where: bonds (distance) C4'-P energy: -11.813 bonds (distance) P-C4' energy: -14.997 flat angles C4'-P-C4' energy: -12.775 flat angles P-C4'-P energy: -10.615 tors. eta vs tors. theta energy: -17.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -154.422024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.422024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.422024 (E_RNA) where: Base-Base interactions energy: -93.021 where: short stacking energy: -56.387 Base-Backbone interact. energy: -0.003 local terms energy: -61.397806 where: bonds (distance) C4'-P energy: -11.304 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -12.887 flat angles P-C4'-P energy: -8.224 tors. eta vs tors. theta energy: -13.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -159.273066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.273066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.273066 (E_RNA) where: Base-Base interactions energy: -99.111 where: short stacking energy: -64.522 Base-Backbone interact. energy: -0.068 local terms energy: -60.094345 where: bonds (distance) C4'-P energy: -12.985 bonds (distance) P-C4' energy: -10.778 flat angles C4'-P-C4' energy: -11.236 flat angles P-C4'-P energy: -9.188 tors. eta vs tors. theta energy: -15.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -129.491303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.491303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.491303 (E_RNA) where: Base-Base interactions energy: -75.099 where: short stacking energy: -42.959 Base-Backbone interact. energy: -0.024 local terms energy: -54.368737 where: bonds (distance) C4'-P energy: -12.578 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -12.127 flat angles P-C4'-P energy: -7.398 tors. eta vs tors. theta energy: -7.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -129.146497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.146497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.146497 (E_RNA) where: Base-Base interactions energy: -69.673 where: short stacking energy: -41.241 Base-Backbone interact. energy: -0.019 local terms energy: -59.454601 where: bonds (distance) C4'-P energy: -13.730 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -13.779 flat angles P-C4'-P energy: -10.907 tors. eta vs tors. theta energy: -6.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -129.397880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.397880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.397880 (E_RNA) where: Base-Base interactions energy: -80.105 where: short stacking energy: -46.424 Base-Backbone interact. energy: -0.711 local terms energy: -48.582278 where: bonds (distance) C4'-P energy: -11.945 bonds (distance) P-C4' energy: -10.261 flat angles C4'-P-C4' energy: -13.033 flat angles P-C4'-P energy: -4.639 tors. eta vs tors. theta energy: -8.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -88.498909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.498909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.498909 (E_RNA) where: Base-Base interactions energy: -36.026 where: short stacking energy: -34.879 Base-Backbone interact. energy: 0.166 local terms energy: -52.638918 where: bonds (distance) C4'-P energy: -10.381 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -13.116 flat angles P-C4'-P energy: -8.206 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: 8, replica: 9 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -84.340737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.340737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.340737 (E_RNA) where: Base-Base interactions energy: -37.770 where: short stacking energy: -37.770 Base-Backbone interact. energy: -0.127 local terms energy: -46.443833 where: bonds (distance) C4'-P energy: -9.490 bonds (distance) P-C4' energy: -10.206 flat angles C4'-P-C4' energy: -10.326 flat angles P-C4'-P energy: -8.756 tors. eta vs tors. theta energy: -7.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -123.723624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.723624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.723624 (E_RNA) where: Base-Base interactions energy: -80.854 where: short stacking energy: -51.037 Base-Backbone interact. energy: 1.498 local terms energy: -44.367586 where: bonds (distance) C4'-P energy: -3.580 bonds (distance) P-C4' energy: -13.062 flat angles C4'-P-C4' energy: -10.672 flat angles P-C4'-P energy: -5.508 tors. eta vs tors. theta energy: -11.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -70.590446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.590446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.590446 (E_RNA) where: Base-Base interactions energy: -24.314 where: short stacking energy: -23.339 Base-Backbone interact. energy: -0.285 local terms energy: -45.991527 where: bonds (distance) C4'-P energy: -9.398 bonds (distance) P-C4' energy: -14.352 flat angles C4'-P-C4' energy: -14.444 flat angles P-C4'-P energy: -7.738 tors. eta vs tors. theta energy: -0.058 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: 4 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -155.756652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.756652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.756652 (E_RNA) where: Base-Base interactions energy: -98.121 where: short stacking energy: -60.854 Base-Backbone interact. energy: -0.104 local terms energy: -57.531197 where: bonds (distance) C4'-P energy: -13.493 bonds (distance) P-C4' energy: -13.581 flat angles C4'-P-C4' energy: -13.069 flat angles P-C4'-P energy: -5.424 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: 6 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -157.200769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.200769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.200769 (E_RNA) where: Base-Base interactions energy: -95.864 where: short stacking energy: -65.423 Base-Backbone interact. energy: -0.007 local terms energy: -61.330206 where: bonds (distance) C4'-P energy: -11.553 bonds (distance) P-C4' energy: -14.127 flat angles C4'-P-C4' energy: -12.050 flat angles P-C4'-P energy: -9.093 tors. eta vs tors. theta energy: -14.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -157.680679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.680679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.680679 (E_RNA) where: Base-Base interactions energy: -96.282 where: short stacking energy: -62.842 Base-Backbone interact. energy: -0.123 local terms energy: -61.275933 where: bonds (distance) C4'-P energy: -6.234 bonds (distance) P-C4' energy: -14.403 flat angles C4'-P-C4' energy: -15.595 flat angles P-C4'-P energy: -9.730 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: 4, replica: 2 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -133.489241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.489241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.489241 (E_RNA) where: Base-Base interactions energy: -86.763 where: short stacking energy: -48.219 Base-Backbone interact. energy: -0.721 local terms energy: -46.004584 where: bonds (distance) C4'-P energy: -12.438 bonds (distance) P-C4' energy: -9.823 flat angles C4'-P-C4' energy: -12.666 flat angles P-C4'-P energy: -6.319 tors. eta vs tors. theta energy: -4.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -128.164064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.164064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.164064 (E_RNA) where: Base-Base interactions energy: -75.084 where: short stacking energy: -48.446 Base-Backbone interact. energy: -0.031 local terms energy: -53.048286 where: bonds (distance) C4'-P energy: -11.990 bonds (distance) P-C4' energy: -15.138 flat angles C4'-P-C4' energy: -8.639 flat angles P-C4'-P energy: -10.160 tors. eta vs tors. theta energy: -7.122 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: 7 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -129.264967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.264967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.264967 (E_RNA) where: Base-Base interactions energy: -79.606 where: short stacking energy: -48.413 Base-Backbone interact. energy: -0.159 local terms energy: -49.500328 where: bonds (distance) C4'-P energy: -9.748 bonds (distance) P-C4' energy: -10.927 flat angles C4'-P-C4' energy: -11.120 flat angles P-C4'-P energy: -9.585 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: 7, replica: 5 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -88.245448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.245448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.245448 (E_RNA) where: Base-Base interactions energy: -41.322 where: short stacking energy: -41.021 Base-Backbone interact. energy: -0.127 local terms energy: -46.796264 where: bonds (distance) C4'-P energy: -12.017 bonds (distance) P-C4' energy: -12.274 flat angles C4'-P-C4' energy: -13.906 flat angles P-C4'-P energy: -4.875 tors. eta vs tors. theta energy: -3.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -80.088047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.088047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.088047 (E_RNA) where: Base-Base interactions energy: -38.807 where: short stacking energy: -37.772 Base-Backbone interact. energy: -0.080 local terms energy: -41.201891 where: bonds (distance) C4'-P energy: -10.592 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -5.859 flat angles P-C4'-P energy: -7.042 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: 9, replica: 9 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -73.352565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.352565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.352565 (E_RNA) where: Base-Base interactions energy: -29.317 where: short stacking energy: -28.758 Base-Backbone interact. energy: -0.456 local terms energy: -43.579515 where: bonds (distance) C4'-P energy: -10.670 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -11.542 flat angles P-C4'-P energy: -8.208 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: 10, replica: 3 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -76.261958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.261958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.261958 (E_RNA) where: Base-Base interactions energy: -33.749 where: short stacking energy: -30.896 Base-Backbone interact. energy: -0.031 local terms energy: -42.482499 where: bonds (distance) C4'-P energy: -8.927 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -9.792 flat angles P-C4'-P energy: -9.766 tors. eta vs tors. theta energy: -0.176 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: 6 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -160.349089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.349089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.349089 (E_RNA) where: Base-Base interactions energy: -98.256 where: short stacking energy: -59.227 Base-Backbone interact. energy: -0.417 local terms energy: -61.676284 where: bonds (distance) C4'-P energy: -9.449 bonds (distance) P-C4' energy: -14.342 flat angles C4'-P-C4' energy: -15.178 flat angles P-C4'-P energy: -8.070 tors. eta vs tors. theta energy: -14.638 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: 4 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -162.798091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.798091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.798091 (E_RNA) where: Base-Base interactions energy: -101.054 where: short stacking energy: -60.834 Base-Backbone interact. energy: -0.650 local terms energy: -61.093960 where: bonds (distance) C4'-P energy: -12.655 bonds (distance) P-C4' energy: -11.895 flat angles C4'-P-C4' energy: -12.134 flat angles P-C4'-P energy: -10.802 tors. eta vs tors. theta energy: -13.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -147.480058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.480058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.480058 (E_RNA) where: Base-Base interactions energy: -84.321 where: short stacking energy: -47.401 Base-Backbone interact. energy: -0.004 local terms energy: -63.154774 where: bonds (distance) C4'-P energy: -14.947 bonds (distance) P-C4' energy: -13.138 flat angles C4'-P-C4' energy: -12.724 flat angles P-C4'-P energy: -7.401 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: 4, replica: 2 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -129.057171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.057171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.057171 (E_RNA) where: Base-Base interactions energy: -71.193 where: short stacking energy: -35.981 Base-Backbone interact. energy: -0.998 local terms energy: -56.865932 where: bonds (distance) C4'-P energy: -11.495 bonds (distance) P-C4' energy: -12.029 flat angles C4'-P-C4' energy: -13.102 flat angles P-C4'-P energy: -11.266 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: 5, replica: 7 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -132.508803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.508803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.508803 (E_RNA) where: Base-Base interactions energy: -73.727 where: short stacking energy: -36.411 Base-Backbone interact. energy: -1.562 local terms energy: -57.220233 where: bonds (distance) C4'-P energy: -12.874 bonds (distance) P-C4' energy: -14.958 flat angles C4'-P-C4' energy: -9.566 flat angles P-C4'-P energy: -9.157 tors. eta vs tors. theta energy: -10.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -120.971918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.971918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.971918 (E_RNA) where: Base-Base interactions energy: -71.078 where: short stacking energy: -43.819 Base-Backbone interact. energy: -0.133 local terms energy: -49.761442 where: bonds (distance) C4'-P energy: -9.875 bonds (distance) P-C4' energy: -12.551 flat angles C4'-P-C4' energy: -14.107 flat angles P-C4'-P energy: -6.011 tors. eta vs tors. theta energy: -7.218 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: 10 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -87.288285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.288285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.288285 (E_RNA) where: Base-Base interactions energy: -40.753 where: short stacking energy: -38.833 Base-Backbone interact. energy: -0.131 local terms energy: -46.404698 where: bonds (distance) C4'-P energy: -8.223 bonds (distance) P-C4' energy: -11.857 flat angles C4'-P-C4' energy: -13.701 flat angles P-C4'-P energy: -5.037 tors. eta vs tors. theta energy: -7.586 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: 5 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -99.928262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.928262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.928262 (E_RNA) where: Base-Base interactions energy: -47.467 where: short stacking energy: -47.308 Base-Backbone interact. energy: -0.738 local terms energy: -51.723912 where: bonds (distance) C4'-P energy: -10.232 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -12.904 flat angles P-C4'-P energy: -4.875 tors. eta vs tors. theta energy: -10.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -82.719966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.719966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.719966 (E_RNA) where: Base-Base interactions energy: -38.104 where: short stacking energy: -34.082 Base-Backbone interact. energy: -0.006 local terms energy: -44.609869 where: bonds (distance) C4'-P energy: -7.827 bonds (distance) P-C4' energy: -6.775 flat angles C4'-P-C4' energy: -13.424 flat angles P-C4'-P energy: -9.881 tors. eta vs tors. theta energy: -6.704 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: 9 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -65.191902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.191902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.191902 (E_RNA) where: Base-Base interactions energy: -17.682 where: short stacking energy: -15.249 Base-Backbone interact. energy: -0.429 local terms energy: -47.081768 where: bonds (distance) C4'-P energy: -10.669 bonds (distance) P-C4' energy: -14.032 flat angles C4'-P-C4' energy: -11.559 flat angles P-C4'-P energy: -9.088 tors. eta vs tors. theta energy: -1.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -145.941743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.941743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.941743 (E_RNA) where: Base-Base interactions energy: -82.639 where: short stacking energy: -53.304 Base-Backbone interact. energy: -0.050 local terms energy: -63.252615 where: bonds (distance) C4'-P energy: -13.130 bonds (distance) P-C4' energy: -14.067 flat angles C4'-P-C4' energy: -15.543 flat angles P-C4'-P energy: -9.730 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: 2, replica: 1 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -153.597428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.597428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.597428 (E_RNA) where: Base-Base interactions energy: -92.674 where: short stacking energy: -55.438 Base-Backbone interact. energy: -0.014 local terms energy: -60.909194 where: bonds (distance) C4'-P energy: -12.298 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -12.309 flat angles P-C4'-P energy: -9.647 tors. eta vs tors. theta energy: -13.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -157.830042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.830042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.830042 (E_RNA) where: Base-Base interactions energy: -98.310 where: short stacking energy: -56.925 Base-Backbone interact. energy: 0.179 local terms energy: -59.698056 where: bonds (distance) C4'-P energy: -12.914 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -11.506 flat angles P-C4'-P energy: -8.319 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: 4, replica: 7 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -142.169034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.169034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.169034 (E_RNA) where: Base-Base interactions energy: -85.535 where: short stacking energy: -56.687 Base-Backbone interact. energy: -0.095 local terms energy: -56.539976 where: bonds (distance) C4'-P energy: -11.257 bonds (distance) P-C4' energy: -13.231 flat angles C4'-P-C4' energy: -13.291 flat angles P-C4'-P energy: -8.448 tors. eta vs tors. theta energy: -10.313 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: 2 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -128.106720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.106720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.106720 (E_RNA) where: Base-Base interactions energy: -70.938 where: short stacking energy: -38.208 Base-Backbone interact. energy: -0.058 local terms energy: -57.110492 where: bonds (distance) C4'-P energy: -11.109 bonds (distance) P-C4' energy: -14.174 flat angles C4'-P-C4' energy: -14.139 flat angles P-C4'-P energy: -10.402 tors. eta vs tors. theta energy: -7.286 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: 8 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -131.219040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.219040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.219040 (E_RNA) where: Base-Base interactions energy: -75.201 where: short stacking energy: -44.981 Base-Backbone interact. energy: -0.000 local terms energy: -56.017379 where: bonds (distance) C4'-P energy: -12.061 bonds (distance) P-C4' energy: -14.201 flat angles C4'-P-C4' energy: -12.898 flat angles P-C4'-P energy: -8.762 tors. eta vs tors. theta energy: -8.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -93.475948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.475948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.475948 (E_RNA) where: Base-Base interactions energy: -44.412 where: short stacking energy: -29.978 Base-Backbone interact. energy: -0.310 local terms energy: -48.753715 where: bonds (distance) C4'-P energy: -9.346 bonds (distance) P-C4' energy: -15.939 flat angles C4'-P-C4' energy: -13.884 flat angles P-C4'-P energy: -9.440 tors. eta vs tors. theta energy: -0.144 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: 3 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -78.244052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.244052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.244052 (E_RNA) where: Base-Base interactions energy: -25.681 where: short stacking energy: -23.503 Base-Backbone interact. energy: -0.095 local terms energy: -52.467820 where: bonds (distance) C4'-P energy: -13.072 bonds (distance) P-C4' energy: -14.167 flat angles C4'-P-C4' energy: -11.186 flat angles P-C4'-P energy: -8.726 tors. eta vs tors. theta energy: -5.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -80.690718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.690718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.690718 (E_RNA) where: Base-Base interactions energy: -47.415 where: short stacking energy: -27.412 Base-Backbone interact. energy: -0.388 local terms energy: -32.887429 where: bonds (distance) C4'-P energy: -7.914 bonds (distance) P-C4' energy: -12.682 flat angles C4'-P-C4' energy: -7.279 flat angles P-C4'-P energy: -2.980 tors. eta vs tors. theta energy: -2.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -84.713363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.713363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.713363 (E_RNA) where: Base-Base interactions energy: -40.331 where: short stacking energy: -38.523 Base-Backbone interact. energy: -0.001 local terms energy: -44.381018 where: bonds (distance) C4'-P energy: -14.379 bonds (distance) P-C4' energy: -9.210 flat angles C4'-P-C4' energy: -10.586 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: -5.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -165.694781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.694781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.694781 (E_RNA) where: Base-Base interactions energy: -100.368 where: short stacking energy: -69.651 Base-Backbone interact. energy: 0.974 local terms energy: -66.300546 where: bonds (distance) C4'-P energy: -13.224 bonds (distance) P-C4' energy: -13.000 flat angles C4'-P-C4' energy: -16.331 flat angles P-C4'-P energy: -8.145 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: 2, replica: 6 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -155.455529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.455529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.455529 (E_RNA) where: Base-Base interactions energy: -95.957 where: short stacking energy: -56.568 Base-Backbone interact. energy: -0.001 local terms energy: -59.497645 where: bonds (distance) C4'-P energy: -10.676 bonds (distance) P-C4' energy: -15.439 flat angles C4'-P-C4' energy: -14.070 flat angles P-C4'-P energy: -9.770 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: 3, replica: 7 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -144.394602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.394602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.394602 (E_RNA) where: Base-Base interactions energy: -83.709 where: short stacking energy: -48.127 Base-Backbone interact. energy: -0.001 local terms energy: -60.685404 where: bonds (distance) C4'-P energy: -13.551 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -13.409 flat angles P-C4'-P energy: -7.713 tors. eta vs tors. theta energy: -12.532 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: 4 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -139.010545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.010545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.010545 (E_RNA) where: Base-Base interactions energy: -84.882 where: short stacking energy: -51.228 Base-Backbone interact. energy: -0.076 local terms energy: -54.052333 where: bonds (distance) C4'-P energy: -11.775 bonds (distance) P-C4' energy: -12.274 flat angles C4'-P-C4' energy: -13.140 flat angles P-C4'-P energy: -7.825 tors. eta vs tors. theta energy: -9.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -127.703389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.703389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.703389 (E_RNA) where: Base-Base interactions energy: -75.931 where: short stacking energy: -47.703 Base-Backbone interact. energy: -1.339 local terms energy: -50.434080 where: bonds (distance) C4'-P energy: -8.339 bonds (distance) P-C4' energy: -12.144 flat angles C4'-P-C4' energy: -13.013 flat angles P-C4'-P energy: -9.628 tors. eta vs tors. theta energy: -7.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -116.605784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.605784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.605784 (E_RNA) where: Base-Base interactions energy: -69.347 where: short stacking energy: -41.317 Base-Backbone interact. energy: -0.145 local terms energy: -47.113454 where: bonds (distance) C4'-P energy: -10.732 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -9.053 flat angles P-C4'-P energy: -8.340 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: 3 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -90.924016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.924016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.924016 (E_RNA) where: Base-Base interactions energy: -43.262 where: short stacking energy: -40.677 Base-Backbone interact. energy: 0.291 local terms energy: -47.953278 where: bonds (distance) C4'-P energy: -12.032 bonds (distance) P-C4' energy: -13.107 flat angles C4'-P-C4' energy: -11.198 flat angles P-C4'-P energy: -8.817 tors. eta vs tors. theta energy: -2.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -85.245147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.245147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.245147 (E_RNA) where: Base-Base interactions energy: -41.960 where: short stacking energy: -25.943 Base-Backbone interact. energy: -0.799 local terms energy: -42.486247 where: bonds (distance) C4'-P energy: -9.067 bonds (distance) P-C4' energy: -10.481 flat angles C4'-P-C4' energy: -11.892 flat angles P-C4'-P energy: -7.467 tors. eta vs tors. theta energy: -3.579 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: 9 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -92.992182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.992182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.992182 (E_RNA) where: Base-Base interactions energy: -46.711 where: short stacking energy: -46.711 Base-Backbone interact. energy: -0.003 local terms energy: -46.278328 where: bonds (distance) C4'-P energy: -13.262 bonds (distance) P-C4' energy: -11.561 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -6.740 tors. eta vs tors. theta energy: -9.455 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: 5 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -67.824063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.824063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.824063 (E_RNA) where: Base-Base interactions energy: -28.378 where: short stacking energy: -26.469 Base-Backbone interact. energy: -0.025 local terms energy: -39.421083 where: bonds (distance) C4'-P energy: -10.777 bonds (distance) P-C4' energy: -7.731 flat angles C4'-P-C4' energy: -12.534 flat angles P-C4'-P energy: -4.634 tors. eta vs tors. theta energy: -3.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -159.269303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.269303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.269303 (E_RNA) where: Base-Base interactions energy: -95.290 where: short stacking energy: -64.364 Base-Backbone interact. energy: -0.183 local terms energy: -63.795767 where: bonds (distance) C4'-P energy: -11.283 bonds (distance) P-C4' energy: -12.982 flat angles C4'-P-C4' energy: -13.016 flat angles P-C4'-P energy: -9.801 tors. eta vs tors. theta energy: -16.714 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: 7 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -154.340887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.340887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.340887 (E_RNA) where: Base-Base interactions energy: -89.967 where: short stacking energy: -53.271 Base-Backbone interact. energy: -0.010 local terms energy: -64.364014 where: bonds (distance) C4'-P energy: -13.712 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -12.863 flat angles P-C4'-P energy: -11.263 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: 3, replica: 6 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -155.635443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.635443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.635443 (E_RNA) where: Base-Base interactions energy: -95.654 where: short stacking energy: -57.919 Base-Backbone interact. energy: -0.016 local terms energy: -59.966080 where: bonds (distance) C4'-P energy: -11.623 bonds (distance) P-C4' energy: -15.451 flat angles C4'-P-C4' energy: -12.959 flat angles P-C4'-P energy: -6.311 tors. eta vs tors. theta energy: -13.622 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: 8 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -147.246897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.246897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.246897 (E_RNA) where: Base-Base interactions energy: -90.507 where: short stacking energy: -54.486 Base-Backbone interact. energy: -0.636 local terms energy: -56.104507 where: bonds (distance) C4'-P energy: -11.784 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -14.034 flat angles P-C4'-P energy: -7.117 tors. eta vs tors. theta energy: -10.764 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: 393 Temperature: 1.100000 Total energy: -129.388873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.388873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.388873 (E_RNA) where: Base-Base interactions energy: -79.419 where: short stacking energy: -38.798 Base-Backbone interact. energy: 0.188 local terms energy: -50.157424 where: bonds (distance) C4'-P energy: -14.276 bonds (distance) P-C4' energy: -10.017 flat angles C4'-P-C4' energy: -10.614 flat angles P-C4'-P energy: -6.910 tors. eta vs tors. theta energy: -8.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -101.519758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.519758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.519758 (E_RNA) where: Base-Base interactions energy: -62.765 where: short stacking energy: -39.194 Base-Backbone interact. energy: -0.258 local terms energy: -38.496935 where: bonds (distance) C4'-P energy: -11.925 bonds (distance) P-C4' energy: -10.724 flat angles C4'-P-C4' energy: -5.825 flat angles P-C4'-P energy: -5.600 tors. eta vs tors. theta energy: -4.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -122.805651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.805651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.805651 (E_RNA) where: Base-Base interactions energy: -72.875 where: short stacking energy: -44.247 Base-Backbone interact. energy: -0.002 local terms energy: -49.928731 where: bonds (distance) C4'-P energy: -11.784 bonds (distance) P-C4' energy: -12.616 flat angles C4'-P-C4' energy: -10.234 flat angles P-C4'-P energy: -7.454 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: 8, replica: 10 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -79.580599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.580599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.580599 (E_RNA) where: Base-Base interactions energy: -36.847 where: short stacking energy: -36.847 Base-Backbone interact. energy: -0.439 local terms energy: -42.294508 where: bonds (distance) C4'-P energy: -13.883 bonds (distance) P-C4' energy: -11.645 flat angles C4'-P-C4' energy: -7.912 flat angles P-C4'-P energy: -1.444 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: 9, replica: 9 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -84.079482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.079482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.079482 (E_RNA) where: Base-Base interactions energy: -30.914 where: short stacking energy: -30.729 Base-Backbone interact. energy: -0.163 local terms energy: -53.002106 where: bonds (distance) C4'-P energy: -12.952 bonds (distance) P-C4' energy: -12.652 flat angles C4'-P-C4' energy: -14.585 flat angles P-C4'-P energy: -6.592 tors. eta vs tors. theta energy: -6.221 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: 5 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -80.779515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.779515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.779515 (E_RNA) where: Base-Base interactions energy: -40.417 where: short stacking energy: -33.528 Base-Backbone interact. energy: 0.083 local terms energy: -40.445769 where: bonds (distance) C4'-P energy: -8.425 bonds (distance) P-C4' energy: -9.108 flat angles C4'-P-C4' energy: -15.240 flat angles P-C4'-P energy: -7.191 tors. eta vs tors. theta energy: -0.482 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: 7 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -159.618116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.618116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.618116 (E_RNA) where: Base-Base interactions energy: -93.840 where: short stacking energy: -53.395 Base-Backbone interact. energy: -0.002 local terms energy: -65.776577 where: bonds (distance) C4'-P energy: -12.934 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -13.411 flat angles P-C4'-P energy: -9.808 tors. eta vs tors. theta energy: -14.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -142.508475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.508475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.508475 (E_RNA) where: Base-Base interactions energy: -79.424 where: short stacking energy: -51.770 Base-Backbone interact. energy: -0.040 local terms energy: -63.043903 where: bonds (distance) C4'-P energy: -12.745 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -15.938 flat angles P-C4'-P energy: -6.726 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: 3, replica: 6 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -144.385542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.385542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.385542 (E_RNA) where: Base-Base interactions energy: -86.256 where: short stacking energy: -54.252 Base-Backbone interact. energy: -0.053 local terms energy: -58.076306 where: bonds (distance) C4'-P energy: -10.563 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -13.631 flat angles P-C4'-P energy: -9.258 tors. eta vs tors. theta energy: -10.641 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: 8 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -137.426040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.426040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.426040 (E_RNA) where: Base-Base interactions energy: -79.426 where: short stacking energy: -47.769 Base-Backbone interact. energy: -1.214 local terms energy: -56.786335 where: bonds (distance) C4'-P energy: -11.673 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -7.679 flat angles P-C4'-P energy: -8.167 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: 394 Temperature: 1.100000 Total energy: -135.047260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.047260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.047260 (E_RNA) where: Base-Base interactions energy: -75.787 where: short stacking energy: -52.654 Base-Backbone interact. energy: -0.003 local terms energy: -59.257480 where: bonds (distance) C4'-P energy: -12.040 bonds (distance) P-C4' energy: -10.823 flat angles C4'-P-C4' energy: -12.981 flat angles P-C4'-P energy: -8.573 tors. eta vs tors. theta energy: -14.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -89.560396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.560396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.560396 (E_RNA) where: Base-Base interactions energy: -45.143 where: short stacking energy: -27.073 Base-Backbone interact. energy: 0.939 local terms energy: -45.355545 where: bonds (distance) C4'-P energy: -11.833 bonds (distance) P-C4' energy: -11.884 flat angles C4'-P-C4' energy: -8.218 flat angles P-C4'-P energy: -8.510 tors. eta vs tors. theta energy: -4.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -75.767795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.767795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.767795 (E_RNA) where: Base-Base interactions energy: -36.838 where: short stacking energy: -34.392 Base-Backbone interact. energy: -0.201 local terms energy: -38.729514 where: bonds (distance) C4'-P energy: -9.531 bonds (distance) P-C4' energy: -9.996 flat angles C4'-P-C4' energy: -12.194 flat angles P-C4'-P energy: -7.161 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: 8, replica: 2 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -112.575393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.575393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.575393 (E_RNA) where: Base-Base interactions energy: -60.482 where: short stacking energy: -32.407 Base-Backbone interact. energy: 0.111 local terms energy: -52.204846 where: bonds (distance) C4'-P energy: -10.961 bonds (distance) P-C4' energy: -14.172 flat angles C4'-P-C4' energy: -12.832 flat angles P-C4'-P energy: -7.617 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: 9, replica: 5 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -71.827006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.827006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.827006 (E_RNA) where: Base-Base interactions energy: -34.870 where: short stacking energy: -29.471 Base-Backbone interact. energy: 1.243 local terms energy: -38.200198 where: bonds (distance) C4'-P energy: -6.051 bonds (distance) P-C4' energy: -13.638 flat angles C4'-P-C4' energy: -7.556 flat angles P-C4'-P energy: -9.467 tors. eta vs tors. theta energy: -1.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -75.010011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.010011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.010011 (E_RNA) where: Base-Base interactions energy: -40.814 where: short stacking energy: -31.563 Base-Backbone interact. energy: -0.097 local terms energy: -34.098748 where: bonds (distance) C4'-P energy: -8.968 bonds (distance) P-C4' energy: -11.452 flat angles C4'-P-C4' energy: -8.163 flat angles P-C4'-P energy: -2.918 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: 1, replica: 7 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -172.597546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.597546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.597546 (E_RNA) where: Base-Base interactions energy: -105.714 where: short stacking energy: -68.603 Base-Backbone interact. energy: -0.004 local terms energy: -66.879040 where: bonds (distance) C4'-P energy: -11.834 bonds (distance) P-C4' energy: -13.950 flat angles C4'-P-C4' energy: -12.630 flat angles P-C4'-P energy: -11.701 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: 2, replica: 6 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -159.279791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.279791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.279791 (E_RNA) where: Base-Base interactions energy: -93.661 where: short stacking energy: -58.853 Base-Backbone interact. energy: -0.000 local terms energy: -65.618981 where: bonds (distance) C4'-P energy: -14.342 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -11.662 flat angles P-C4'-P energy: -7.756 tors. eta vs tors. theta energy: -16.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -143.266264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.266264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.266264 (E_RNA) where: Base-Base interactions energy: -86.420 where: short stacking energy: -54.166 Base-Backbone interact. energy: -0.003 local terms energy: -56.843548 where: bonds (distance) C4'-P energy: -11.457 bonds (distance) P-C4' energy: -15.323 flat angles C4'-P-C4' energy: -13.409 flat angles P-C4'-P energy: -4.437 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: 4, replica: 4 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -144.434300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.434300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.434300 (E_RNA) where: Base-Base interactions energy: -88.369 where: short stacking energy: -56.440 Base-Backbone interact. energy: -0.001 local terms energy: -56.065046 where: bonds (distance) C4'-P energy: -12.819 bonds (distance) P-C4' energy: -11.112 flat angles C4'-P-C4' energy: -11.832 flat angles P-C4'-P energy: -7.840 tors. eta vs tors. theta energy: -12.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -136.718728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.718728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.718728 (E_RNA) where: Base-Base interactions energy: -80.829 where: short stacking energy: -51.334 Base-Backbone interact. energy: -0.235 local terms energy: -55.654491 where: bonds (distance) C4'-P energy: -14.199 bonds (distance) P-C4' energy: -15.492 flat angles C4'-P-C4' energy: -10.958 flat angles P-C4'-P energy: -7.948 tors. eta vs tors. theta energy: -7.057 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: 395 Temperature: 1.150000 Total energy: -102.257099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.257099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.257099 (E_RNA) where: Base-Base interactions energy: -46.269 where: short stacking energy: -43.858 Base-Backbone interact. energy: -0.001 local terms energy: -55.986406 where: bonds (distance) C4'-P energy: -12.807 bonds (distance) P-C4' energy: -13.808 flat angles C4'-P-C4' energy: -13.309 flat angles P-C4'-P energy: -6.756 tors. eta vs tors. theta energy: -9.306 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: 7, replica: 10 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -91.305401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.305401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.305401 (E_RNA) where: Base-Base interactions energy: -39.357 where: short stacking energy: -38.843 Base-Backbone interact. energy: -0.028 local terms energy: -51.919793 where: bonds (distance) C4'-P energy: -14.256 bonds (distance) P-C4' energy: -12.381 flat angles C4'-P-C4' energy: -13.711 flat angles P-C4'-P energy: -9.777 tors. eta vs tors. theta energy: -1.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -88.344548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.344548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.344548 (E_RNA) where: Base-Base interactions energy: -33.655 where: short stacking energy: -33.655 Base-Backbone interact. energy: -0.127 local terms energy: -54.562805 where: bonds (distance) C4'-P energy: -12.653 bonds (distance) P-C4' energy: -12.832 flat angles C4'-P-C4' energy: -12.955 flat angles P-C4'-P energy: -8.481 tors. eta vs tors. theta energy: -7.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -107.944510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.944510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.944510 (E_RNA) where: Base-Base interactions energy: -67.279 where: short stacking energy: -34.504 Base-Backbone interact. energy: -0.127 local terms energy: -40.538212 where: bonds (distance) C4'-P energy: -10.086 bonds (distance) P-C4' energy: -9.809 flat angles C4'-P-C4' energy: -8.621 flat angles P-C4'-P energy: -9.093 tors. eta vs tors. theta energy: -2.929 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: 9 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -72.305426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.305426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.305426 (E_RNA) where: Base-Base interactions energy: -26.008 where: short stacking energy: -20.856 Base-Backbone interact. energy: -0.103 local terms energy: -46.194125 where: bonds (distance) C4'-P energy: -11.600 bonds (distance) P-C4' energy: -9.508 flat angles C4'-P-C4' energy: -11.257 flat angles P-C4'-P energy: -11.282 tors. eta vs tors. theta energy: -2.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -173.635091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.635091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.635091 (E_RNA) where: Base-Base interactions energy: -105.211 where: short stacking energy: -68.235 Base-Backbone interact. energy: -0.000 local terms energy: -68.424471 where: bonds (distance) C4'-P energy: -14.422 bonds (distance) P-C4' energy: -12.060 flat angles C4'-P-C4' energy: -15.372 flat angles P-C4'-P energy: -9.986 tors. eta vs tors. theta energy: -16.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -147.896784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.896784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.896784 (E_RNA) where: Base-Base interactions energy: -84.727 where: short stacking energy: -54.109 Base-Backbone interact. energy: -0.007 local terms energy: -63.162204 where: bonds (distance) C4'-P energy: -13.249 bonds (distance) P-C4' energy: -14.044 flat angles C4'-P-C4' energy: -12.832 flat angles P-C4'-P energy: -9.098 tors. eta vs tors. theta energy: -13.938 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: 4 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -130.723794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.723794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.723794 (E_RNA) where: Base-Base interactions energy: -75.779 where: short stacking energy: -46.880 Base-Backbone interact. energy: -0.241 local terms energy: -54.703267 where: bonds (distance) C4'-P energy: -14.007 bonds (distance) P-C4' energy: -11.262 flat angles C4'-P-C4' energy: -12.042 flat angles P-C4'-P energy: -9.728 tors. eta vs tors. theta energy: -7.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -130.589407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.589407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.589407 (E_RNA) where: Base-Base interactions energy: -72.826 where: short stacking energy: -44.079 Base-Backbone interact. energy: -0.129 local terms energy: -57.634370 where: bonds (distance) C4'-P energy: -12.243 bonds (distance) P-C4' energy: -12.933 flat angles C4'-P-C4' energy: -12.310 flat angles P-C4'-P energy: -10.106 tors. eta vs tors. theta energy: -10.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -144.353086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.353086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.353086 (E_RNA) where: Base-Base interactions energy: -85.205 where: short stacking energy: -52.074 Base-Backbone interact. energy: -0.217 local terms energy: -58.930540 where: bonds (distance) C4'-P energy: -13.962 bonds (distance) P-C4' energy: -9.007 flat angles C4'-P-C4' energy: -11.086 flat angles P-C4'-P energy: -10.646 tors. eta vs tors. theta energy: -14.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -88.986278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.986278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.986278 (E_RNA) where: Base-Base interactions energy: -37.400 where: short stacking energy: -36.741 Base-Backbone interact. energy: -0.154 local terms energy: -51.432451 where: bonds (distance) C4'-P energy: -11.419 bonds (distance) P-C4' energy: -10.235 flat angles C4'-P-C4' energy: -13.010 flat angles P-C4'-P energy: -6.759 tors. eta vs tors. theta energy: -10.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -85.550295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.550295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.550295 (E_RNA) where: Base-Base interactions energy: -40.530 where: short stacking energy: -40.530 Base-Backbone interact. energy: -0.215 local terms energy: -44.805744 where: bonds (distance) C4'-P energy: -10.931 bonds (distance) P-C4' energy: -11.678 flat angles C4'-P-C4' energy: -13.720 flat angles P-C4'-P energy: -7.610 tors. eta vs tors. theta energy: -0.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -86.796003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.796003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.796003 (E_RNA) where: Base-Base interactions energy: -49.058 where: short stacking energy: -35.545 Base-Backbone interact. energy: -0.197 local terms energy: -37.541168 where: bonds (distance) C4'-P energy: -9.011 bonds (distance) P-C4' energy: -13.020 flat angles C4'-P-C4' energy: -3.841 flat angles P-C4'-P energy: -5.302 tors. eta vs tors. theta energy: -6.367 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: 9, replica: 9 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -106.104950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.104950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.104950 (E_RNA) where: Base-Base interactions energy: -63.300 where: short stacking energy: -36.950 Base-Backbone interact. energy: -0.105 local terms energy: -42.700059 where: bonds (distance) C4'-P energy: -6.700 bonds (distance) P-C4' energy: -12.122 flat angles C4'-P-C4' energy: -12.109 flat angles P-C4'-P energy: -8.096 tors. eta vs tors. theta energy: -3.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -73.752229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.752229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.752229 (E_RNA) where: Base-Base interactions energy: -27.829 where: short stacking energy: -25.389 Base-Backbone interact. energy: -0.444 local terms energy: -45.478971 where: bonds (distance) C4'-P energy: -11.854 bonds (distance) P-C4' energy: -14.215 flat angles C4'-P-C4' energy: -5.848 flat angles P-C4'-P energy: -6.632 tors. eta vs tors. theta energy: -6.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -169.947725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.947725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.947725 (E_RNA) where: Base-Base interactions energy: -104.727 where: short stacking energy: -73.492 Base-Backbone interact. energy: -0.001 local terms energy: -65.219592 where: bonds (distance) C4'-P energy: -9.771 bonds (distance) P-C4' energy: -12.168 flat angles C4'-P-C4' energy: -14.305 flat angles P-C4'-P energy: -10.836 tors. eta vs tors. theta energy: -18.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -147.753397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.753397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.753397 (E_RNA) where: Base-Base interactions energy: -85.098 where: short stacking energy: -57.108 Base-Backbone interact. energy: -0.069 local terms energy: -62.586972 where: bonds (distance) C4'-P energy: -15.179 bonds (distance) P-C4' energy: -11.929 flat angles C4'-P-C4' energy: -13.457 flat angles P-C4'-P energy: -9.065 tors. eta vs tors. theta energy: -12.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -135.034247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.034247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.034247 (E_RNA) where: Base-Base interactions energy: -78.994 where: short stacking energy: -51.325 Base-Backbone interact. energy: 0.619 local terms energy: -56.658997 where: bonds (distance) C4'-P energy: -11.089 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -10.229 flat angles P-C4'-P energy: -8.000 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: 4, replica: 8 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -132.203389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.203389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.203389 (E_RNA) where: Base-Base interactions energy: -80.216 where: short stacking energy: -49.074 Base-Backbone interact. energy: -0.279 local terms energy: -51.709048 where: bonds (distance) C4'-P energy: -13.916 bonds (distance) P-C4' energy: -11.982 flat angles C4'-P-C4' energy: -9.645 flat angles P-C4'-P energy: -7.073 tors. eta vs tors. theta energy: -9.092 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: 1 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -128.660097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.660097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.660097 (E_RNA) where: Base-Base interactions energy: -77.985 where: short stacking energy: -49.512 Base-Backbone interact. energy: -0.102 local terms energy: -50.573389 where: bonds (distance) C4'-P energy: -13.257 bonds (distance) P-C4' energy: -9.710 flat angles C4'-P-C4' energy: -11.537 flat angles P-C4'-P energy: -6.981 tors. eta vs tors. theta energy: -9.088 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: 397 Temperature: 1.150000 Total energy: -95.514206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.514206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.514206 (E_RNA) where: Base-Base interactions energy: -42.871 where: short stacking energy: -37.739 Base-Backbone interact. energy: -0.089 local terms energy: -52.553668 where: bonds (distance) C4'-P energy: -6.037 bonds (distance) P-C4' energy: -13.020 flat angles C4'-P-C4' energy: -15.067 flat angles P-C4'-P energy: -10.551 tors. eta vs tors. theta energy: -7.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -101.719412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.719412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.719412 (E_RNA) where: Base-Base interactions energy: -47.234 where: short stacking energy: -47.156 Base-Backbone interact. energy: -0.072 local terms energy: -54.413306 where: bonds (distance) C4'-P energy: -13.820 bonds (distance) P-C4' energy: -14.790 flat angles C4'-P-C4' energy: -10.184 flat angles P-C4'-P energy: -6.461 tors. eta vs tors. theta energy: -9.158 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: 9 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -89.825161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.825161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.825161 (E_RNA) where: Base-Base interactions energy: -35.434 where: short stacking energy: -34.661 Base-Backbone interact. energy: -0.712 local terms energy: -53.679564 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -10.205 flat angles P-C4'-P energy: -7.596 tors. eta vs tors. theta energy: -7.621 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: 10 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -71.234753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.234753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.234753 (E_RNA) where: Base-Base interactions energy: -32.948 where: short stacking energy: -27.259 Base-Backbone interact. energy: -0.261 local terms energy: -38.025666 where: bonds (distance) C4'-P energy: -9.772 bonds (distance) P-C4' energy: -11.789 flat angles C4'-P-C4' energy: -12.370 flat angles P-C4'-P energy: -2.316 tors. eta vs tors. theta energy: -1.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -75.249191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.249191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.249191 (E_RNA) where: Base-Base interactions energy: -33.342 where: short stacking energy: -33.342 Base-Backbone interact. energy: -0.159 local terms energy: -41.748753 where: bonds (distance) C4'-P energy: -7.019 bonds (distance) P-C4' energy: -13.860 flat angles C4'-P-C4' energy: -8.546 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -7.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -152.526714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.526714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.526714 (E_RNA) where: Base-Base interactions energy: -91.539 where: short stacking energy: -58.270 Base-Backbone interact. energy: -0.043 local terms energy: -60.944233 where: bonds (distance) C4'-P energy: -13.825 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -13.534 flat angles P-C4'-P energy: -6.044 tors. eta vs tors. theta energy: -12.423 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: 7 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -156.138034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.138034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.138034 (E_RNA) where: Base-Base interactions energy: -95.038 where: short stacking energy: -55.663 Base-Backbone interact. energy: 0.788 local terms energy: -61.887975 where: bonds (distance) C4'-P energy: -10.861 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -15.257 flat angles P-C4'-P energy: -10.134 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: 3, replica: 4 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -151.788750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.788750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.788750 (E_RNA) where: Base-Base interactions energy: -88.264 where: short stacking energy: -61.815 Base-Backbone interact. energy: -0.053 local terms energy: -63.471097 where: bonds (distance) C4'-P energy: -13.618 bonds (distance) P-C4' energy: -12.489 flat angles C4'-P-C4' energy: -14.370 flat angles P-C4'-P energy: -11.748 tors. eta vs tors. theta energy: -11.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -138.059743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.059743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.059743 (E_RNA) where: Base-Base interactions energy: -82.229 where: short stacking energy: -54.181 Base-Backbone interact. energy: -0.013 local terms energy: -55.818023 where: bonds (distance) C4'-P energy: -11.621 bonds (distance) P-C4' energy: -14.342 flat angles C4'-P-C4' energy: -8.366 flat angles P-C4'-P energy: -10.540 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: 5, replica: 1 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -147.864945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.864945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.864945 (E_RNA) where: Base-Base interactions energy: -81.612 where: short stacking energy: -51.391 Base-Backbone interact. energy: -0.002 local terms energy: -66.251220 where: bonds (distance) C4'-P energy: -13.880 bonds (distance) P-C4' energy: -12.451 flat angles C4'-P-C4' energy: -13.994 flat angles P-C4'-P energy: -10.549 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: 6, replica: 5 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -91.919054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.919054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.919054 (E_RNA) where: Base-Base interactions energy: -40.423 where: short stacking energy: -37.082 Base-Backbone interact. energy: -0.010 local terms energy: -51.486063 where: bonds (distance) C4'-P energy: -11.804 bonds (distance) P-C4' energy: -11.734 flat angles C4'-P-C4' energy: -11.622 flat angles P-C4'-P energy: -9.204 tors. eta vs tors. theta energy: -7.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -92.438931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.438931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.438931 (E_RNA) where: Base-Base interactions energy: -45.235 where: short stacking energy: -41.112 Base-Backbone interact. energy: -0.144 local terms energy: -47.060782 where: bonds (distance) C4'-P energy: -8.112 bonds (distance) P-C4' energy: -15.020 flat angles C4'-P-C4' energy: -11.977 flat angles P-C4'-P energy: -10.602 tors. eta vs tors. theta energy: -1.350 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: 3 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -82.692119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.692119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.692119 (E_RNA) where: Base-Base interactions energy: -36.945 where: short stacking energy: -36.196 Base-Backbone interact. energy: -0.130 local terms energy: -45.617231 where: bonds (distance) C4'-P energy: -9.627 bonds (distance) P-C4' energy: -9.142 flat angles C4'-P-C4' energy: -13.840 flat angles P-C4'-P energy: -8.867 tors. eta vs tors. theta energy: -4.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -81.473838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.473838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.473838 (E_RNA) where: Base-Base interactions energy: -33.531 where: short stacking energy: -33.531 Base-Backbone interact. energy: -0.142 local terms energy: -47.800621 where: bonds (distance) C4'-P energy: -12.898 bonds (distance) P-C4' energy: -15.094 flat angles C4'-P-C4' energy: -7.474 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: -9.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -85.094858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.094858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.094858 (E_RNA) where: Base-Base interactions energy: -39.447 where: short stacking energy: -36.744 Base-Backbone interact. energy: -0.269 local terms energy: -45.378660 where: bonds (distance) C4'-P energy: -14.252 bonds (distance) P-C4' energy: -12.814 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -5.885 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: 1, replica: 6 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -146.033704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.033704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.033704 (E_RNA) where: Base-Base interactions energy: -85.913 where: short stacking energy: -50.535 Base-Backbone interact. energy: -0.488 local terms energy: -59.632431 where: bonds (distance) C4'-P energy: -12.865 bonds (distance) P-C4' energy: -12.690 flat angles C4'-P-C4' energy: -12.663 flat angles P-C4'-P energy: -7.794 tors. eta vs tors. theta energy: -13.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -145.095005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.095005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.095005 (E_RNA) where: Base-Base interactions energy: -85.593 where: short stacking energy: -51.041 Base-Backbone interact. energy: -0.214 local terms energy: -59.287589 where: bonds (distance) C4'-P energy: -10.655 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -13.542 flat angles P-C4'-P energy: -12.168 tors. eta vs tors. theta energy: -8.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -141.964694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.964694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.964694 (E_RNA) where: Base-Base interactions energy: -81.727 where: short stacking energy: -52.135 Base-Backbone interact. energy: -0.239 local terms energy: -59.999103 where: bonds (distance) C4'-P energy: -12.674 bonds (distance) P-C4' energy: -13.222 flat angles C4'-P-C4' energy: -13.917 flat angles P-C4'-P energy: -10.016 tors. eta vs tors. theta energy: -10.169 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: 1 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -148.845077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.845077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.845077 (E_RNA) where: Base-Base interactions energy: -90.821 where: short stacking energy: -54.512 Base-Backbone interact. energy: -0.183 local terms energy: -57.840890 where: bonds (distance) C4'-P energy: -13.660 bonds (distance) P-C4' energy: -11.802 flat angles C4'-P-C4' energy: -15.173 flat angles P-C4'-P energy: -7.902 tors. eta vs tors. theta energy: -9.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -138.409985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.409985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.409985 (E_RNA) where: Base-Base interactions energy: -78.599 where: short stacking energy: -43.908 Base-Backbone interact. energy: -0.104 local terms energy: -59.707534 where: bonds (distance) C4'-P energy: -13.455 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -13.342 flat angles P-C4'-P energy: -10.180 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: 6, replica: 5 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -108.799631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.799631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.799631 (E_RNA) where: Base-Base interactions energy: -58.426 where: short stacking energy: -41.326 Base-Backbone interact. energy: 0.875 local terms energy: -51.248715 where: bonds (distance) C4'-P energy: -13.267 bonds (distance) P-C4' energy: -9.937 flat angles C4'-P-C4' energy: -11.398 flat angles P-C4'-P energy: -9.839 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: 7, replica: 9 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -85.492538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.492538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.492538 (E_RNA) where: Base-Base interactions energy: -36.378 where: short stacking energy: -36.378 Base-Backbone interact. energy: -0.175 local terms energy: -48.939664 where: bonds (distance) C4'-P energy: -10.978 bonds (distance) P-C4' energy: -11.542 flat angles C4'-P-C4' energy: -12.506 flat angles P-C4'-P energy: -8.799 tors. eta vs tors. theta energy: -5.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -83.947296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.947296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.947296 (E_RNA) where: Base-Base interactions energy: -34.102 where: short stacking energy: -32.330 Base-Backbone interact. energy: 0.227 local terms energy: -50.072347 where: bonds (distance) C4'-P energy: -11.379 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -12.505 flat angles P-C4'-P energy: -8.629 tors. eta vs tors. theta energy: -2.670 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: 3 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -82.482729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.482729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.482729 (E_RNA) where: Base-Base interactions energy: -34.541 where: short stacking energy: -34.541 Base-Backbone interact. energy: -0.080 local terms energy: -47.861893 where: bonds (distance) C4'-P energy: -12.265 bonds (distance) P-C4' energy: -6.961 flat angles C4'-P-C4' energy: -10.519 flat angles P-C4'-P energy: -11.314 tors. eta vs tors. theta energy: -6.802 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: 10 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -90.319165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.319165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.319165 (E_RNA) where: Base-Base interactions energy: -46.947 where: short stacking energy: -44.715 Base-Backbone interact. energy: -0.189 local terms energy: -43.182558 where: bonds (distance) C4'-P energy: -9.756 bonds (distance) P-C4' energy: -11.911 flat angles C4'-P-C4' energy: -8.624 flat angles P-C4'-P energy: -9.224 tors. eta vs tors. theta energy: -3.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -164.064340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.064340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.064340 (E_RNA) where: Base-Base interactions energy: -98.620 where: short stacking energy: -64.718 Base-Backbone interact. energy: 0.026 local terms energy: -65.470454 where: bonds (distance) C4'-P energy: -9.552 bonds (distance) P-C4' energy: -14.843 flat angles C4'-P-C4' energy: -13.181 flat angles P-C4'-P energy: -8.747 tors. eta vs tors. theta energy: -19.148 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: 2, replica: 7 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -142.583868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.583868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.583868 (E_RNA) where: Base-Base interactions energy: -85.307 where: short stacking energy: -52.968 Base-Backbone interact. energy: -0.224 local terms energy: -57.052785 where: bonds (distance) C4'-P energy: -12.397 bonds (distance) P-C4' energy: -11.957 flat angles C4'-P-C4' energy: -13.770 flat angles P-C4'-P energy: -8.218 tors. eta vs tors. theta energy: -10.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -155.841890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.841890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.841890 (E_RNA) where: Base-Base interactions energy: -95.245 where: short stacking energy: -60.606 Base-Backbone interact. energy: 0.346 local terms energy: -60.943069 where: bonds (distance) C4'-P energy: -14.309 bonds (distance) P-C4' energy: -11.711 flat angles C4'-P-C4' energy: -11.133 flat angles P-C4'-P energy: -8.964 tors. eta vs tors. theta energy: -14.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -136.419675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.419675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.419675 (E_RNA) where: Base-Base interactions energy: -83.272 where: short stacking energy: -55.498 Base-Backbone interact. energy: -0.202 local terms energy: -52.945942 where: bonds (distance) C4'-P energy: -12.753 bonds (distance) P-C4' energy: -10.128 flat angles C4'-P-C4' energy: -12.880 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: -12.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -138.070540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.070540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.070540 (E_RNA) where: Base-Base interactions energy: -80.718 where: short stacking energy: -46.541 Base-Backbone interact. energy: -0.012 local terms energy: -57.340738 where: bonds (distance) C4'-P energy: -10.002 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -11.686 flat angles P-C4'-P energy: -8.814 tors. eta vs tors. theta energy: -12.478 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: 5 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -103.465310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.465310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.465310 (E_RNA) where: Base-Base interactions energy: -43.358 where: short stacking energy: -42.531 Base-Backbone interact. energy: -0.012 local terms energy: -60.094520 where: bonds (distance) C4'-P energy: -14.064 bonds (distance) P-C4' energy: -15.265 flat angles C4'-P-C4' energy: -12.917 flat angles P-C4'-P energy: -7.620 tors. eta vs tors. theta energy: -10.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -89.939460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.939460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.939460 (E_RNA) where: Base-Base interactions energy: -40.797 where: short stacking energy: -40.797 Base-Backbone interact. energy: -0.118 local terms energy: -49.024431 where: bonds (distance) C4'-P energy: -13.120 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -11.881 flat angles P-C4'-P energy: -8.053 tors. eta vs tors. theta energy: -3.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -85.876153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.876153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.876153 (E_RNA) where: Base-Base interactions energy: -35.666 where: short stacking energy: -25.059 Base-Backbone interact. energy: -0.164 local terms energy: -50.046132 where: bonds (distance) C4'-P energy: -13.126 bonds (distance) P-C4' energy: -15.094 flat angles C4'-P-C4' energy: -7.619 flat angles P-C4'-P energy: -10.396 tors. eta vs tors. theta energy: -3.812 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: 10 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -75.418915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.418915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.418915 (E_RNA) where: Base-Base interactions energy: -27.814 where: short stacking energy: -26.777 Base-Backbone interact. energy: -0.272 local terms energy: -47.332877 where: bonds (distance) C4'-P energy: -9.888 bonds (distance) P-C4' energy: -13.413 flat angles C4'-P-C4' energy: -12.755 flat angles P-C4'-P energy: -9.361 tors. eta vs tors. theta energy: -1.916 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: 3 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -74.166282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.166282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.166282 (E_RNA) where: Base-Base interactions energy: -29.100 where: short stacking energy: -29.100 Base-Backbone interact. energy: -0.196 local terms energy: -44.870698 where: bonds (distance) C4'-P energy: -9.292 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -7.398 flat angles P-C4'-P energy: -7.358 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: 1, replica: 6 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -154.567182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.567182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.567182 (E_RNA) where: Base-Base interactions energy: -93.042 where: short stacking energy: -63.701 Base-Backbone interact. energy: -0.003 local terms energy: -61.522876 where: bonds (distance) C4'-P energy: -12.385 bonds (distance) P-C4' energy: -13.038 flat angles C4'-P-C4' energy: -9.680 flat angles P-C4'-P energy: -10.503 tors. eta vs tors. theta energy: -15.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -151.130222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.130222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.130222 (E_RNA) where: Base-Base interactions energy: -92.485 where: short stacking energy: -56.488 Base-Backbone interact. energy: -0.001 local terms energy: -58.644252 where: bonds (distance) C4'-P energy: -7.686 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -14.027 flat angles P-C4'-P energy: -10.545 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: 7 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -157.149096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.149096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.149096 (E_RNA) where: Base-Base interactions energy: -102.787 where: short stacking energy: -61.983 Base-Backbone interact. energy: -0.133 local terms energy: -54.229469 where: bonds (distance) C4'-P energy: -11.299 bonds (distance) P-C4' energy: -9.634 flat angles C4'-P-C4' energy: -12.097 flat angles P-C4'-P energy: -4.603 tors. eta vs tors. theta energy: -16.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -144.587425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.587425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.587425 (E_RNA) where: Base-Base interactions energy: -80.324 where: short stacking energy: -49.495 Base-Backbone interact. energy: -0.519 local terms energy: -63.744595 where: bonds (distance) C4'-P energy: -12.923 bonds (distance) P-C4' energy: -13.054 flat angles C4'-P-C4' energy: -13.427 flat angles P-C4'-P energy: -11.919 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: 5, replica: 4 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -129.316166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.316166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.316166 (E_RNA) where: Base-Base interactions energy: -75.244 where: short stacking energy: -45.131 Base-Backbone interact. energy: -0.088 local terms energy: -53.984252 where: bonds (distance) C4'-P energy: -12.860 bonds (distance) P-C4' energy: -12.423 flat angles C4'-P-C4' energy: -11.609 flat angles P-C4'-P energy: -8.458 tors. eta vs tors. theta energy: -8.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -104.170460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.170460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.170460 (E_RNA) where: Base-Base interactions energy: -47.749 where: short stacking energy: -47.749 Base-Backbone interact. energy: -0.064 local terms energy: -56.356987 where: bonds (distance) C4'-P energy: -13.097 bonds (distance) P-C4' energy: -12.215 flat angles C4'-P-C4' energy: -13.938 flat angles P-C4'-P energy: -7.815 tors. eta vs tors. theta energy: -9.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -87.604875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.604875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.604875 (E_RNA) where: Base-Base interactions energy: -36.304 where: short stacking energy: -36.304 Base-Backbone interact. energy: -0.013 local terms energy: -51.287956 where: bonds (distance) C4'-P energy: -9.226 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -11.253 flat angles P-C4'-P energy: -8.960 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: 8, replica: 10 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -91.927833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.927833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.927833 (E_RNA) where: Base-Base interactions energy: -42.671 where: short stacking energy: -42.671 Base-Backbone interact. energy: 0.449 local terms energy: -49.706322 where: bonds (distance) C4'-P energy: -7.980 bonds (distance) P-C4' energy: -13.172 flat angles C4'-P-C4' energy: -12.135 flat angles P-C4'-P energy: -6.609 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: 9, replica: 9 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -87.249639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.249639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.249639 (E_RNA) where: Base-Base interactions energy: -36.446 where: short stacking energy: -36.446 Base-Backbone interact. energy: -0.132 local terms energy: -50.672182 where: bonds (distance) C4'-P energy: -9.996 bonds (distance) P-C4' energy: -11.600 flat angles C4'-P-C4' energy: -11.688 flat angles P-C4'-P energy: -6.886 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: 10, replica: 3 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -78.168911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.168911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.168911 (E_RNA) where: Base-Base interactions energy: -38.271 where: short stacking energy: -28.018 Base-Backbone interact. energy: -0.058 local terms energy: -39.839634 where: bonds (distance) C4'-P energy: -12.823 bonds (distance) P-C4' energy: -9.858 flat angles C4'-P-C4' energy: -9.446 flat angles P-C4'-P energy: -2.802 tors. eta vs tors. theta energy: -4.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -150.669000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.669000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.669000 (E_RNA) where: Base-Base interactions energy: -92.897 where: short stacking energy: -63.470 Base-Backbone interact. energy: -0.005 local terms energy: -57.767448 where: bonds (distance) C4'-P energy: -11.865 bonds (distance) P-C4' energy: -10.971 flat angles C4'-P-C4' energy: -10.335 flat angles P-C4'-P energy: -9.234 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: 6 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -144.245571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.245571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.245571 (E_RNA) where: Base-Base interactions energy: -87.241 where: short stacking energy: -52.626 Base-Backbone interact. energy: -0.005 local terms energy: -56.999981 where: bonds (distance) C4'-P energy: -9.246 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -12.131 flat angles P-C4'-P energy: -10.924 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: 7 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -164.862044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.862044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.862044 (E_RNA) where: Base-Base interactions energy: -98.132 where: short stacking energy: -55.487 Base-Backbone interact. energy: -0.782 local terms energy: -65.948141 where: bonds (distance) C4'-P energy: -11.958 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -13.225 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -16.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -147.601584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.601584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.601584 (E_RNA) where: Base-Base interactions energy: -82.741 where: short stacking energy: -51.334 Base-Backbone interact. energy: -0.491 local terms energy: -64.370126 where: bonds (distance) C4'-P energy: -12.323 bonds (distance) P-C4' energy: -12.926 flat angles C4'-P-C4' energy: -15.048 flat angles P-C4'-P energy: -11.695 tors. eta vs tors. theta energy: -12.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -127.372344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.372344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.372344 (E_RNA) where: Base-Base interactions energy: -76.225 where: short stacking energy: -48.046 Base-Backbone interact. energy: -0.080 local terms energy: -51.067778 where: bonds (distance) C4'-P energy: -11.967 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -9.172 flat angles P-C4'-P energy: -6.122 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: 6, replica: 5 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -89.441889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.441889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.441889 (E_RNA) where: Base-Base interactions energy: -41.048 where: short stacking energy: -41.048 Base-Backbone interact. energy: -0.013 local terms energy: -48.381262 where: bonds (distance) C4'-P energy: -13.366 bonds (distance) P-C4' energy: -10.661 flat angles C4'-P-C4' energy: -8.363 flat angles P-C4'-P energy: -7.423 tors. eta vs tors. theta energy: -8.568 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: 402 Temperature: 1.200000 Total energy: -99.352193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.352193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.352193 (E_RNA) where: Base-Base interactions energy: -46.718 where: short stacking energy: -46.718 Base-Backbone interact. energy: -0.099 local terms energy: -52.534971 where: bonds (distance) C4'-P energy: -9.387 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -13.388 flat angles P-C4'-P energy: -6.778 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: 2 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -91.729639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.729639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.729639 (E_RNA) where: Base-Base interactions energy: -42.409 where: short stacking energy: -42.409 Base-Backbone interact. energy: -0.216 local terms energy: -49.104780 where: bonds (distance) C4'-P energy: -9.063 bonds (distance) P-C4' energy: -15.780 flat angles C4'-P-C4' energy: -13.824 flat angles P-C4'-P energy: -3.986 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: 9, replica: 3 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -74.117143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.117143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.117143 (E_RNA) where: Base-Base interactions energy: -31.104 where: short stacking energy: -31.104 Base-Backbone interact. energy: -0.198 local terms energy: -42.815598 where: bonds (distance) C4'-P energy: -9.482 bonds (distance) P-C4' energy: -10.745 flat angles C4'-P-C4' energy: -15.122 flat angles P-C4'-P energy: -4.982 tors. eta vs tors. theta energy: -2.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -82.480314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.480314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.480314 (E_RNA) where: Base-Base interactions energy: -36.360 where: short stacking energy: -33.439 Base-Backbone interact. energy: -0.108 local terms energy: -46.012061 where: bonds (distance) C4'-P energy: -15.729 bonds (distance) P-C4' energy: -10.382 flat angles C4'-P-C4' energy: -11.274 flat angles P-C4'-P energy: -2.871 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: 1 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -152.174722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.174722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.174722 (E_RNA) where: Base-Base interactions energy: -91.201 where: short stacking energy: -61.010 Base-Backbone interact. energy: -0.003 local terms energy: -60.971150 where: bonds (distance) C4'-P energy: -13.552 bonds (distance) P-C4' energy: -12.581 flat angles C4'-P-C4' energy: -12.480 flat angles P-C4'-P energy: -10.791 tors. eta vs tors. theta energy: -11.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -164.404506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.404506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.404506 (E_RNA) where: Base-Base interactions energy: -98.952 where: short stacking energy: -63.266 Base-Backbone interact. energy: -0.011 local terms energy: -65.441131 where: bonds (distance) C4'-P energy: -13.440 bonds (distance) P-C4' energy: -14.539 flat angles C4'-P-C4' energy: -13.025 flat angles P-C4'-P energy: -10.161 tors. eta vs tors. theta energy: -14.276 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: 6 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -144.669199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.669199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.669199 (E_RNA) where: Base-Base interactions energy: -82.883 where: short stacking energy: -46.880 Base-Backbone interact. energy: -0.001 local terms energy: -61.784693 where: bonds (distance) C4'-P energy: -13.089 bonds (distance) P-C4' energy: -15.040 flat angles C4'-P-C4' energy: -11.562 flat angles P-C4'-P energy: -8.510 tors. eta vs tors. theta energy: -13.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -158.578614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.578614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.578614 (E_RNA) where: Base-Base interactions energy: -95.230 where: short stacking energy: -53.712 Base-Backbone interact. energy: -0.020 local terms energy: -63.328741 where: bonds (distance) C4'-P energy: -12.919 bonds (distance) P-C4' energy: -12.679 flat angles C4'-P-C4' energy: -13.690 flat angles P-C4'-P energy: -11.250 tors. eta vs tors. theta energy: -12.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -134.843968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.843968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.843968 (E_RNA) where: Base-Base interactions energy: -81.939 where: short stacking energy: -42.689 Base-Backbone interact. energy: -0.109 local terms energy: -52.796002 where: bonds (distance) C4'-P energy: -11.117 bonds (distance) P-C4' energy: -12.709 flat angles C4'-P-C4' energy: -11.745 flat angles P-C4'-P energy: -7.740 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: 6, replica: 10 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -99.696196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.696196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.696196 (E_RNA) where: Base-Base interactions energy: -56.520 where: short stacking energy: -56.520 Base-Backbone interact. energy: 0.207 local terms energy: -43.383465 where: bonds (distance) C4'-P energy: -6.716 bonds (distance) P-C4' energy: -9.869 flat angles C4'-P-C4' energy: -14.136 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -9.726 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: 7, replica: 5 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -95.726604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.726604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.726604 (E_RNA) where: Base-Base interactions energy: -39.080 where: short stacking energy: -38.085 Base-Backbone interact. energy: -0.002 local terms energy: -56.644336 where: bonds (distance) C4'-P energy: -11.918 bonds (distance) P-C4' energy: -13.228 flat angles C4'-P-C4' energy: -14.596 flat angles P-C4'-P energy: -6.975 tors. eta vs tors. theta energy: -9.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -78.453760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.453760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.453760 (E_RNA) where: Base-Base interactions energy: -32.788 where: short stacking energy: -18.042 Base-Backbone interact. energy: -1.033 local terms energy: -44.633107 where: bonds (distance) C4'-P energy: -14.214 bonds (distance) P-C4' energy: -11.009 flat angles C4'-P-C4' energy: -10.010 flat angles P-C4'-P energy: -8.479 tors. eta vs tors. theta energy: -0.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -77.676887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.676887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.676887 (E_RNA) where: Base-Base interactions energy: -30.621 where: short stacking energy: -27.769 Base-Backbone interact. energy: -0.095 local terms energy: -46.960766 where: bonds (distance) C4'-P energy: -8.741 bonds (distance) P-C4' energy: -13.010 flat angles C4'-P-C4' energy: -13.441 flat angles P-C4'-P energy: -5.802 tors. eta vs tors. theta energy: -5.967 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: 9 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -67.626949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.626949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.626949 (E_RNA) where: Base-Base interactions energy: -31.066 where: short stacking energy: -28.789 Base-Backbone interact. energy: -0.255 local terms energy: -36.306704 where: bonds (distance) C4'-P energy: -10.745 bonds (distance) P-C4' energy: -11.989 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -6.352 tors. eta vs tors. theta energy: -0.828 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: 1, replica: 7 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -161.596971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.596971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.596971 (E_RNA) where: Base-Base interactions energy: -97.033 where: short stacking energy: -61.530 Base-Backbone interact. energy: -0.009 local terms energy: -64.554536 where: bonds (distance) C4'-P energy: -14.227 bonds (distance) P-C4' energy: -12.345 flat angles C4'-P-C4' energy: -12.775 flat angles P-C4'-P energy: -9.410 tors. eta vs tors. theta energy: -15.799 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: 1 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -142.959006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.959006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.959006 (E_RNA) where: Base-Base interactions energy: -87.937 where: short stacking energy: -56.469 Base-Backbone interact. energy: -1.013 local terms energy: -54.009752 where: bonds (distance) C4'-P energy: -9.955 bonds (distance) P-C4' energy: -14.872 flat angles C4'-P-C4' energy: -11.105 flat angles P-C4'-P energy: -9.470 tors. eta vs tors. theta energy: -8.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -153.211881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.211881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.211881 (E_RNA) where: Base-Base interactions energy: -100.003 where: short stacking energy: -61.986 Base-Backbone interact. energy: -0.797 local terms energy: -52.412277 where: bonds (distance) C4'-P energy: -9.930 bonds (distance) P-C4' energy: -13.458 flat angles C4'-P-C4' energy: -10.224 flat angles P-C4'-P energy: -9.559 tors. eta vs tors. theta energy: -9.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -139.790277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.790277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.790277 (E_RNA) where: Base-Base interactions energy: -79.453 where: short stacking energy: -50.183 Base-Backbone interact. energy: -0.229 local terms energy: -60.108793 where: bonds (distance) C4'-P energy: -12.513 bonds (distance) P-C4' energy: -13.514 flat angles C4'-P-C4' energy: -12.057 flat angles P-C4'-P energy: -11.296 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: 5, replica: 4 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -138.121456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.121456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.121456 (E_RNA) where: Base-Base interactions energy: -79.051 where: short stacking energy: -46.428 Base-Backbone interact. energy: -0.078 local terms energy: -58.991867 where: bonds (distance) C4'-P energy: -14.503 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -11.655 flat angles P-C4'-P energy: -11.906 tors. eta vs tors. theta energy: -5.627 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: 10 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -88.780618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.780618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.780618 (E_RNA) where: Base-Base interactions energy: -43.074 where: short stacking energy: -43.074 Base-Backbone interact. energy: -0.195 local terms energy: -45.512071 where: bonds (distance) C4'-P energy: -7.363 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -10.471 flat angles P-C4'-P energy: -8.648 tors. eta vs tors. theta energy: -3.982 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: 2 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -102.510758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.510758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.510758 (E_RNA) where: Base-Base interactions energy: -43.019 where: short stacking energy: -42.396 Base-Backbone interact. energy: -0.007 local terms energy: -59.484970 where: bonds (distance) C4'-P energy: -15.150 bonds (distance) P-C4' energy: -13.695 flat angles C4'-P-C4' energy: -13.316 flat angles P-C4'-P energy: -7.484 tors. eta vs tors. theta energy: -9.840 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: 8, replica: 5 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -86.313790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.313790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.313790 (E_RNA) where: Base-Base interactions energy: -43.642 where: short stacking energy: -39.168 Base-Backbone interact. energy: -0.199 local terms energy: -42.472201 where: bonds (distance) C4'-P energy: -9.620 bonds (distance) P-C4' energy: -10.651 flat angles C4'-P-C4' energy: -11.536 flat angles P-C4'-P energy: -5.518 tors. eta vs tors. theta energy: -5.148 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: 9, replica: 9 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -78.897929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.897929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.897929 (E_RNA) where: Base-Base interactions energy: -35.522 where: short stacking energy: -30.064 Base-Backbone interact. energy: -0.067 local terms energy: -43.308947 where: bonds (distance) C4'-P energy: -11.954 bonds (distance) P-C4' energy: -12.596 flat angles C4'-P-C4' energy: -10.457 flat angles P-C4'-P energy: -6.022 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: 10, replica: 3 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -81.319877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.319877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.319877 (E_RNA) where: Base-Base interactions energy: -38.397 where: short stacking energy: -30.185 Base-Backbone interact. energy: -0.047 local terms energy: -42.875684 where: bonds (distance) C4'-P energy: -12.177 bonds (distance) P-C4' energy: -10.912 flat angles C4'-P-C4' energy: -9.885 flat angles P-C4'-P energy: -5.896 tors. eta vs tors. theta energy: -4.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -159.058520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.058520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.058520 (E_RNA) where: Base-Base interactions energy: -101.933 where: short stacking energy: -64.852 Base-Backbone interact. energy: -0.001 local terms energy: -57.124244 where: bonds (distance) C4'-P energy: -11.378 bonds (distance) P-C4' energy: -12.003 flat angles C4'-P-C4' energy: -11.951 flat angles P-C4'-P energy: -6.314 tors. eta vs tors. theta energy: -15.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -157.824056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.824056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.824056 (E_RNA) where: Base-Base interactions energy: -89.419 where: short stacking energy: -69.180 Base-Backbone interact. energy: -0.157 local terms energy: -68.248036 where: bonds (distance) C4'-P energy: -13.536 bonds (distance) P-C4' energy: -14.636 flat angles C4'-P-C4' energy: -15.277 flat angles P-C4'-P energy: -7.477 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: 3, replica: 1 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -143.900806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.900806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.900806 (E_RNA) where: Base-Base interactions energy: -87.566 where: short stacking energy: -59.755 Base-Backbone interact. energy: 0.306 local terms energy: -56.640012 where: bonds (distance) C4'-P energy: -11.642 bonds (distance) P-C4' energy: -13.022 flat angles C4'-P-C4' energy: -11.413 flat angles P-C4'-P energy: -8.534 tors. eta vs tors. theta energy: -12.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -141.286842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.286842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.286842 (E_RNA) where: Base-Base interactions energy: -83.136 where: short stacking energy: -47.946 Base-Backbone interact. energy: -0.021 local terms energy: -58.130001 where: bonds (distance) C4'-P energy: -12.037 bonds (distance) P-C4' energy: -13.272 flat angles C4'-P-C4' energy: -11.848 flat angles P-C4'-P energy: -11.375 tors. eta vs tors. theta energy: -9.598 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: 4 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -134.997030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.997030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.997030 (E_RNA) where: Base-Base interactions energy: -83.584 where: short stacking energy: -53.468 Base-Backbone interact. energy: 0.060 local terms energy: -51.473414 where: bonds (distance) C4'-P energy: -14.298 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -11.176 flat angles P-C4'-P energy: -5.304 tors. eta vs tors. theta energy: -7.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -98.922187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.922187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.922187 (E_RNA) where: Base-Base interactions energy: -44.540 where: short stacking energy: -30.344 Base-Backbone interact. energy: -0.230 local terms energy: -54.151831 where: bonds (distance) C4'-P energy: -13.125 bonds (distance) P-C4' energy: -15.166 flat angles C4'-P-C4' energy: -11.123 flat angles P-C4'-P energy: -7.953 tors. eta vs tors. theta energy: -6.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -77.471317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.471317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.471317 (E_RNA) where: Base-Base interactions energy: -35.577 where: short stacking energy: -35.577 Base-Backbone interact. energy: -0.025 local terms energy: -41.869633 where: bonds (distance) C4'-P energy: -12.609 bonds (distance) P-C4' energy: -11.915 flat angles C4'-P-C4' energy: -11.615 flat angles P-C4'-P energy: -3.875 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: 8, replica: 5 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -81.238352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.238352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.238352 (E_RNA) where: Base-Base interactions energy: -27.682 where: short stacking energy: -27.682 Base-Backbone interact. energy: -0.601 local terms energy: -52.955097 where: bonds (distance) C4'-P energy: -15.481 bonds (distance) P-C4' energy: -15.290 flat angles C4'-P-C4' energy: -13.023 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -5.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -76.885107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.885107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.885107 (E_RNA) where: Base-Base interactions energy: -41.025 where: short stacking energy: -21.042 Base-Backbone interact. energy: -0.285 local terms energy: -35.574864 where: bonds (distance) C4'-P energy: -13.696 bonds (distance) P-C4' energy: -10.221 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -8.069 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: 10, replica: 3 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -77.580618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.580618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.580618 (E_RNA) where: Base-Base interactions energy: -41.381 where: short stacking energy: -24.100 Base-Backbone interact. energy: -0.262 local terms energy: -35.937558 where: bonds (distance) C4'-P energy: -11.709 bonds (distance) P-C4' energy: -8.328 flat angles C4'-P-C4' energy: -9.057 flat angles P-C4'-P energy: -4.321 tors. eta vs tors. theta energy: -2.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -158.382809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.382809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.382809 (E_RNA) where: Base-Base interactions energy: -93.541 where: short stacking energy: -57.471 Base-Backbone interact. energy: -0.004 local terms energy: -64.838405 where: bonds (distance) C4'-P energy: -11.833 bonds (distance) P-C4' energy: -13.501 flat angles C4'-P-C4' energy: -14.705 flat angles P-C4'-P energy: -8.980 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: 7 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -143.884645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.884645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.884645 (E_RNA) where: Base-Base interactions energy: -87.835 where: short stacking energy: -62.987 Base-Backbone interact. energy: -0.002 local terms energy: -56.048173 where: bonds (distance) C4'-P energy: -14.910 bonds (distance) P-C4' energy: -10.702 flat angles C4'-P-C4' energy: -7.273 flat angles P-C4'-P energy: -11.698 tors. eta vs tors. theta energy: -11.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -140.003084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.003084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.003084 (E_RNA) where: Base-Base interactions energy: -80.644 where: short stacking energy: -51.821 Base-Backbone interact. energy: -0.129 local terms energy: -59.229478 where: bonds (distance) C4'-P energy: -12.210 bonds (distance) P-C4' energy: -10.760 flat angles C4'-P-C4' energy: -15.702 flat angles P-C4'-P energy: -7.210 tors. eta vs tors. theta energy: -13.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -146.335693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.335693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.335693 (E_RNA) where: Base-Base interactions energy: -89.102 where: short stacking energy: -57.908 Base-Backbone interact. energy: 0.142 local terms energy: -57.375663 where: bonds (distance) C4'-P energy: -9.937 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -12.623 flat angles P-C4'-P energy: -10.338 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: 5, replica: 2 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -118.971003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.971003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.971003 (E_RNA) where: Base-Base interactions energy: -69.700 where: short stacking energy: -36.376 Base-Backbone interact. energy: -0.007 local terms energy: -49.264072 where: bonds (distance) C4'-P energy: -11.394 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -12.034 flat angles P-C4'-P energy: -9.601 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: 6, replica: 4 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -130.154847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.154847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.154847 (E_RNA) where: Base-Base interactions energy: -81.996 where: short stacking energy: -49.054 Base-Backbone interact. energy: 0.357 local terms energy: -48.515973 where: bonds (distance) C4'-P energy: -8.849 bonds (distance) P-C4' energy: -14.021 flat angles C4'-P-C4' energy: -10.077 flat angles P-C4'-P energy: -6.849 tors. eta vs tors. theta energy: -8.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -98.988230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.988230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.988230 (E_RNA) where: Base-Base interactions energy: -49.718 where: short stacking energy: -34.540 Base-Backbone interact. energy: -0.003 local terms energy: -49.266724 where: bonds (distance) C4'-P energy: -13.671 bonds (distance) P-C4' energy: -11.930 flat angles C4'-P-C4' energy: -12.058 flat angles P-C4'-P energy: -2.712 tors. eta vs tors. theta energy: -8.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -84.760782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.760782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.760782 (E_RNA) where: Base-Base interactions energy: -39.609 where: short stacking energy: -39.609 Base-Backbone interact. energy: 1.231 local terms energy: -46.382896 where: bonds (distance) C4'-P energy: -11.088 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -4.992 flat angles P-C4'-P energy: -9.485 tors. eta vs tors. theta energy: -7.031 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: 3 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -72.059822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.059822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.059822 (E_RNA) where: Base-Base interactions energy: -29.885 where: short stacking energy: -29.885 Base-Backbone interact. energy: -0.122 local terms energy: -42.052769 where: bonds (distance) C4'-P energy: -10.865 bonds (distance) P-C4' energy: -14.568 flat angles C4'-P-C4' energy: -7.864 flat angles P-C4'-P energy: -5.433 tors. eta vs tors. theta energy: -3.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -78.892542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.892542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.892542 (E_RNA) where: Base-Base interactions energy: -40.388 where: short stacking energy: -30.867 Base-Backbone interact. energy: -0.033 local terms energy: -38.471766 where: bonds (distance) C4'-P energy: -6.361 bonds (distance) P-C4' energy: -13.614 flat angles C4'-P-C4' energy: -10.485 flat angles P-C4'-P energy: -8.164 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: 1, replica: 8 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -175.103197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.103197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.103197 (E_RNA) where: Base-Base interactions energy: -108.087 where: short stacking energy: -68.870 Base-Backbone interact. energy: -0.010 local terms energy: -67.006769 where: bonds (distance) C4'-P energy: -13.307 bonds (distance) P-C4' energy: -12.532 flat angles C4'-P-C4' energy: -11.896 flat angles P-C4'-P energy: -10.596 tors. eta vs tors. theta energy: -18.675 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: 1 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -156.133922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.133922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.133922 (E_RNA) where: Base-Base interactions energy: -91.546 where: short stacking energy: -53.032 Base-Backbone interact. energy: -0.003 local terms energy: -64.585586 where: bonds (distance) C4'-P energy: -12.497 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -14.149 flat angles P-C4'-P energy: -10.482 tors. eta vs tors. theta energy: -14.137 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: 7 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -161.701949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.701949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.701949 (E_RNA) where: Base-Base interactions energy: -102.681 where: short stacking energy: -59.480 Base-Backbone interact. energy: -0.073 local terms energy: -58.948291 where: bonds (distance) C4'-P energy: -9.318 bonds (distance) P-C4' energy: -16.035 flat angles C4'-P-C4' energy: -12.328 flat angles P-C4'-P energy: -6.919 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: 4, replica: 2 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -133.617307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.617307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.617307 (E_RNA) where: Base-Base interactions energy: -78.158 where: short stacking energy: -45.099 Base-Backbone interact. energy: 0.074 local terms energy: -55.532538 where: bonds (distance) C4'-P energy: -13.201 bonds (distance) P-C4' energy: -10.651 flat angles C4'-P-C4' energy: -13.625 flat angles P-C4'-P energy: -9.783 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: 5, replica: 6 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -142.939161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.939161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.939161 (E_RNA) where: Base-Base interactions energy: -85.184 where: short stacking energy: -46.394 Base-Backbone interact. energy: -0.001 local terms energy: -57.753796 where: bonds (distance) C4'-P energy: -11.573 bonds (distance) P-C4' energy: -13.480 flat angles C4'-P-C4' energy: -11.913 flat angles P-C4'-P energy: -9.079 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: 6, replica: 4 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -119.641723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.641723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.641723 (E_RNA) where: Base-Base interactions energy: -70.757 where: short stacking energy: -40.711 Base-Backbone interact. energy: -0.182 local terms energy: -48.702785 where: bonds (distance) C4'-P energy: -10.492 bonds (distance) P-C4' energy: -11.404 flat angles C4'-P-C4' energy: -10.512 flat angles P-C4'-P energy: -7.187 tors. eta vs tors. theta energy: -9.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -84.565896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.565896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.565896 (E_RNA) where: Base-Base interactions energy: -30.970 where: short stacking energy: -25.575 Base-Backbone interact. energy: -0.096 local terms energy: -53.499643 where: bonds (distance) C4'-P energy: -12.050 bonds (distance) P-C4' energy: -14.382 flat angles C4'-P-C4' energy: -14.010 flat angles P-C4'-P energy: -8.603 tors. eta vs tors. theta energy: -4.455 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: 3 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -82.419571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.419571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.419571 (E_RNA) where: Base-Base interactions energy: -33.167 where: short stacking energy: -33.167 Base-Backbone interact. energy: -0.099 local terms energy: -49.153771 where: bonds (distance) C4'-P energy: -8.795 bonds (distance) P-C4' energy: -14.075 flat angles C4'-P-C4' energy: -11.905 flat angles P-C4'-P energy: -9.246 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: 9, replica: 10 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -76.699733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.699733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.699733 (E_RNA) where: Base-Base interactions energy: -32.139 where: short stacking energy: -31.154 Base-Backbone interact. energy: 1.696 local terms energy: -46.257470 where: bonds (distance) C4'-P energy: -13.513 bonds (distance) P-C4' energy: -11.884 flat angles C4'-P-C4' energy: -6.999 flat angles P-C4'-P energy: -9.697 tors. eta vs tors. theta energy: -4.164 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: 9 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -70.508882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.508882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.508882 (E_RNA) where: Base-Base interactions energy: -32.615 where: short stacking energy: -19.518 Base-Backbone interact. energy: -0.217 local terms energy: -37.676843 where: bonds (distance) C4'-P energy: -11.394 bonds (distance) P-C4' energy: -13.059 flat angles C4'-P-C4' energy: -5.644 flat angles P-C4'-P energy: -6.617 tors. eta vs tors. theta energy: -0.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -170.545123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.545123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.545123 (E_RNA) where: Base-Base interactions energy: -102.750 where: short stacking energy: -66.635 Base-Backbone interact. energy: -0.000 local terms energy: -67.795204 where: bonds (distance) C4'-P energy: -14.094 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -11.756 flat angles P-C4'-P energy: -10.434 tors. eta vs tors. theta energy: -18.133 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: 1 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -160.764378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.764378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.764378 (E_RNA) where: Base-Base interactions energy: -94.658 where: short stacking energy: -62.269 Base-Backbone interact. energy: -0.003 local terms energy: -66.103618 where: bonds (distance) C4'-P energy: -13.366 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -13.742 flat angles P-C4'-P energy: -8.978 tors. eta vs tors. theta energy: -14.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -140.162118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.162118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.162118 (E_RNA) where: Base-Base interactions energy: -79.544 where: short stacking energy: -46.349 Base-Backbone interact. energy: -1.100 local terms energy: -59.518465 where: bonds (distance) C4'-P energy: -12.479 bonds (distance) P-C4' energy: -12.345 flat angles C4'-P-C4' energy: -11.959 flat angles P-C4'-P energy: -11.746 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: 7 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -148.026774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.026774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.026774 (E_RNA) where: Base-Base interactions energy: -85.368 where: short stacking energy: -52.295 Base-Backbone interact. energy: -0.616 local terms energy: -62.042979 where: bonds (distance) C4'-P energy: -14.797 bonds (distance) P-C4' energy: -10.751 flat angles C4'-P-C4' energy: -13.646 flat angles P-C4'-P energy: -8.169 tors. eta vs tors. theta energy: -14.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -141.334323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.334323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.334323 (E_RNA) where: Base-Base interactions energy: -87.631 where: short stacking energy: -54.616 Base-Backbone interact. energy: -0.044 local terms energy: -53.658966 where: bonds (distance) C4'-P energy: -11.498 bonds (distance) P-C4' energy: -6.339 flat angles C4'-P-C4' energy: -14.176 flat angles P-C4'-P energy: -9.857 tors. eta vs tors. theta energy: -11.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -117.746506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.746506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.746506 (E_RNA) where: Base-Base interactions energy: -68.286 where: short stacking energy: -46.396 Base-Backbone interact. energy: -0.020 local terms energy: -49.440457 where: bonds (distance) C4'-P energy: -9.242 bonds (distance) P-C4' energy: -13.458 flat angles C4'-P-C4' energy: -9.394 flat angles P-C4'-P energy: -10.257 tors. eta vs tors. theta energy: -7.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -85.795311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.795311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.795311 (E_RNA) where: Base-Base interactions energy: -38.523 where: short stacking energy: -38.523 Base-Backbone interact. energy: -0.075 local terms energy: -47.197490 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -13.544 flat angles C4'-P-C4' energy: -10.097 flat angles P-C4'-P energy: -3.273 tors. eta vs tors. theta energy: -6.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -100.220660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.220660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.220660 (E_RNA) where: Base-Base interactions energy: -49.044 where: short stacking energy: -49.044 Base-Backbone interact. energy: -0.244 local terms energy: -50.932817 where: bonds (distance) C4'-P energy: -5.739 bonds (distance) P-C4' energy: -14.826 flat angles C4'-P-C4' energy: -13.352 flat angles P-C4'-P energy: -6.285 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: 9, replica: 9 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -74.890287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.890287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.890287 (E_RNA) where: Base-Base interactions energy: -24.166 where: short stacking energy: -24.166 Base-Backbone interact. energy: -0.059 local terms energy: -50.665420 where: bonds (distance) C4'-P energy: -12.040 bonds (distance) P-C4' energy: -14.432 flat angles C4'-P-C4' energy: -10.600 flat angles P-C4'-P energy: -8.321 tors. eta vs tors. theta energy: -5.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -63.816486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.816486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.816486 (E_RNA) where: Base-Base interactions energy: -23.994 where: short stacking energy: -23.994 Base-Backbone interact. energy: -0.117 local terms energy: -39.705560 where: bonds (distance) C4'-P energy: -9.182 bonds (distance) P-C4' energy: -11.678 flat angles C4'-P-C4' energy: -12.455 flat angles P-C4'-P energy: -6.174 tors. eta vs tors. theta energy: -0.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -168.575219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.575219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.575219 (E_RNA) where: Base-Base interactions energy: -104.781 where: short stacking energy: -69.457 Base-Backbone interact. energy: -0.691 local terms energy: -63.103017 where: bonds (distance) C4'-P energy: -12.273 bonds (distance) P-C4' energy: -12.218 flat angles C4'-P-C4' energy: -12.224 flat angles P-C4'-P energy: -10.616 tors. eta vs tors. theta energy: -15.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -140.433706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.433706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.433706 (E_RNA) where: Base-Base interactions energy: -84.836 where: short stacking energy: -51.305 Base-Backbone interact. energy: -0.009 local terms energy: -55.588891 where: bonds (distance) C4'-P energy: -7.889 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -13.132 flat angles P-C4'-P energy: -9.760 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: 3, replica: 1 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -155.608194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.608194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.608194 (E_RNA) where: Base-Base interactions energy: -91.353 where: short stacking energy: -57.564 Base-Backbone interact. energy: 0.299 local terms energy: -64.554466 where: bonds (distance) C4'-P energy: -13.949 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -12.223 flat angles P-C4'-P energy: -7.894 tors. eta vs tors. theta energy: -16.251 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: 409 Temperature: 1.050000 Total energy: -140.305465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.305465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.305465 (E_RNA) where: Base-Base interactions energy: -90.308 where: short stacking energy: -59.976 Base-Backbone interact. energy: -0.122 local terms energy: -49.875334 where: bonds (distance) C4'-P energy: -9.233 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -9.839 flat angles P-C4'-P energy: -6.346 tors. eta vs tors. theta energy: -12.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -133.922798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.922798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.922798 (E_RNA) where: Base-Base interactions energy: -76.799 where: short stacking energy: -52.147 Base-Backbone interact. energy: -0.266 local terms energy: -56.857519 where: bonds (distance) C4'-P energy: -10.342 bonds (distance) P-C4' energy: -11.041 flat angles C4'-P-C4' energy: -14.951 flat angles P-C4'-P energy: -9.631 tors. eta vs tors. theta energy: -10.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -125.000658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.000658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.000658 (E_RNA) where: Base-Base interactions energy: -72.264 where: short stacking energy: -49.580 Base-Backbone interact. energy: -0.002 local terms energy: -52.735250 where: bonds (distance) C4'-P energy: -11.436 bonds (distance) P-C4' energy: -14.905 flat angles C4'-P-C4' energy: -13.782 flat angles P-C4'-P energy: -3.031 tors. eta vs tors. theta energy: -9.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -90.488959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.488959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.488959 (E_RNA) where: Base-Base interactions energy: -41.800 where: short stacking energy: -41.800 Base-Backbone interact. energy: 0.488 local terms energy: -49.176848 where: bonds (distance) C4'-P energy: -10.915 bonds (distance) P-C4' energy: -13.526 flat angles C4'-P-C4' energy: -13.220 flat angles P-C4'-P energy: -7.770 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: 5 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -70.852746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.852746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.852746 (E_RNA) where: Base-Base interactions energy: -30.361 where: short stacking energy: -30.361 Base-Backbone interact. energy: -0.094 local terms energy: -40.398172 where: bonds (distance) C4'-P energy: -12.293 bonds (distance) P-C4' energy: -9.633 flat angles C4'-P-C4' energy: -8.943 flat angles P-C4'-P energy: -9.152 tors. eta vs tors. theta energy: -0.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -85.436670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.436670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.436670 (E_RNA) where: Base-Base interactions energy: -33.907 where: short stacking energy: -32.358 Base-Backbone interact. energy: -0.162 local terms energy: -51.367535 where: bonds (distance) C4'-P energy: -10.064 bonds (distance) P-C4' energy: -14.148 flat angles C4'-P-C4' energy: -9.226 flat angles P-C4'-P energy: -8.692 tors. eta vs tors. theta energy: -9.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -74.176948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.176948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.176948 (E_RNA) where: Base-Base interactions energy: -25.069 where: short stacking energy: -23.215 Base-Backbone interact. energy: -0.073 local terms energy: -49.035163 where: bonds (distance) C4'-P energy: -14.380 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -13.177 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: -2.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -162.108578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.108578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.108578 (E_RNA) where: Base-Base interactions energy: -90.009 where: short stacking energy: -62.395 Base-Backbone interact. energy: -0.004 local terms energy: -72.095974 where: bonds (distance) C4'-P energy: -13.853 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -15.819 flat angles P-C4'-P energy: -10.484 tors. eta vs tors. theta energy: -16.206 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: 410 Temperature: 0.950000 Total energy: -149.933290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.933290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.933290 (E_RNA) where: Base-Base interactions energy: -92.668 where: short stacking energy: -62.260 Base-Backbone interact. energy: -0.020 local terms energy: -57.245211 where: bonds (distance) C4'-P energy: -12.728 bonds (distance) P-C4' energy: -13.159 flat angles C4'-P-C4' energy: -11.073 flat angles P-C4'-P energy: -7.281 tors. eta vs tors. theta energy: -13.005 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: 6 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -138.108363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.108363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.108363 (E_RNA) where: Base-Base interactions energy: -79.995 where: short stacking energy: -43.027 Base-Backbone interact. energy: -0.140 local terms energy: -57.974148 where: bonds (distance) C4'-P energy: -9.967 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -15.316 flat angles P-C4'-P energy: -9.514 tors. eta vs tors. theta energy: -8.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -125.900402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.900402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.900402 (E_RNA) where: Base-Base interactions energy: -72.804 where: short stacking energy: -45.191 Base-Backbone interact. energy: 0.422 local terms energy: -53.518457 where: bonds (distance) C4'-P energy: -14.556 bonds (distance) P-C4' energy: -13.061 flat angles C4'-P-C4' energy: -12.361 flat angles P-C4'-P energy: -6.839 tors. eta vs tors. theta energy: -6.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -127.992391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.992391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.992391 (E_RNA) where: Base-Base interactions energy: -78.191 where: short stacking energy: -52.437 Base-Backbone interact. energy: -0.050 local terms energy: -49.751152 where: bonds (distance) C4'-P energy: -11.726 bonds (distance) P-C4' energy: -12.721 flat angles C4'-P-C4' energy: -9.360 flat angles P-C4'-P energy: -4.187 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: 6, replica: 4 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -114.849682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.849682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.849682 (E_RNA) where: Base-Base interactions energy: -63.402 where: short stacking energy: -36.505 Base-Backbone interact. energy: -0.207 local terms energy: -51.240311 where: bonds (distance) C4'-P energy: -15.071 bonds (distance) P-C4' energy: -12.465 flat angles C4'-P-C4' energy: -13.706 flat angles P-C4'-P energy: -3.112 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: 7, replica: 3 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -95.306184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.306184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.306184 (E_RNA) where: Base-Base interactions energy: -48.098 where: short stacking energy: -46.572 Base-Backbone interact. energy: 0.426 local terms energy: -47.634440 where: bonds (distance) C4'-P energy: -11.243 bonds (distance) P-C4' energy: -13.741 flat angles C4'-P-C4' energy: -10.266 flat angles P-C4'-P energy: -1.509 tors. eta vs tors. theta energy: -10.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -79.210930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.210930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.210930 (E_RNA) where: Base-Base interactions energy: -34.098 where: short stacking energy: -34.098 Base-Backbone interact. energy: -0.255 local terms energy: -44.858403 where: bonds (distance) C4'-P energy: -9.424 bonds (distance) P-C4' energy: -12.664 flat angles C4'-P-C4' energy: -9.255 flat angles P-C4'-P energy: -12.212 tors. eta vs tors. theta energy: -1.303 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: 9, replica: 10 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -77.836133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.836133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.836133 (E_RNA) where: Base-Base interactions energy: -30.626 where: short stacking energy: -28.061 Base-Backbone interact. energy: -0.102 local terms energy: -47.108004 where: bonds (distance) C4'-P energy: -9.847 bonds (distance) P-C4' energy: -11.992 flat angles C4'-P-C4' energy: -11.907 flat angles P-C4'-P energy: -7.866 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: 10, replica: 9 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -83.380352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.380352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.380352 (E_RNA) where: Base-Base interactions energy: -33.238 where: short stacking energy: -33.238 Base-Backbone interact. energy: -0.012 local terms energy: -50.130490 where: bonds (distance) C4'-P energy: -11.296 bonds (distance) P-C4' energy: -8.951 flat angles C4'-P-C4' energy: -8.391 flat angles P-C4'-P energy: -13.168 tors. eta vs tors. theta energy: -8.324 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: 1, replica: 8 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -167.257174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.257174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.257174 (E_RNA) where: Base-Base interactions energy: -99.787 where: short stacking energy: -66.340 Base-Backbone interact. energy: -0.003 local terms energy: -67.467487 where: bonds (distance) C4'-P energy: -13.672 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -12.394 flat angles P-C4'-P energy: -12.263 tors. eta vs tors. theta energy: -14.088 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: 411 Temperature: 0.950000 Total energy: -151.674418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.674418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.674418 (E_RNA) where: Base-Base interactions energy: -89.258 where: short stacking energy: -55.322 Base-Backbone interact. energy: -0.024 local terms energy: -62.392304 where: bonds (distance) C4'-P energy: -12.231 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -14.852 flat angles P-C4'-P energy: -7.329 tors. eta vs tors. theta energy: -12.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -142.729364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.729364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.729364 (E_RNA) where: Base-Base interactions energy: -82.397 where: short stacking energy: -53.681 Base-Backbone interact. energy: -0.008 local terms energy: -60.323813 where: bonds (distance) C4'-P energy: -13.783 bonds (distance) P-C4' energy: -14.775 flat angles C4'-P-C4' energy: -10.345 flat angles P-C4'-P energy: -7.715 tors. eta vs tors. theta energy: -13.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -129.020326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.020326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.020326 (E_RNA) where: Base-Base interactions energy: -71.099 where: short stacking energy: -48.381 Base-Backbone interact. energy: -0.011 local terms energy: -57.910438 where: bonds (distance) C4'-P energy: -10.527 bonds (distance) P-C4' energy: -14.357 flat angles C4'-P-C4' energy: -11.963 flat angles P-C4'-P energy: -10.429 tors. eta vs tors. theta energy: -10.635 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: 411 Temperature: 1.100000 Total energy: -117.739484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.739484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.739484 (E_RNA) where: Base-Base interactions energy: -69.131 where: short stacking energy: -37.921 Base-Backbone interact. energy: 0.331 local terms energy: -48.939596 where: bonds (distance) C4'-P energy: -9.630 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -8.824 flat angles P-C4'-P energy: -9.765 tors. eta vs tors. theta energy: -7.173 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: 3 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -88.827669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.827669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.827669 (E_RNA) where: Base-Base interactions energy: -39.333 where: short stacking energy: -37.470 Base-Backbone interact. energy: -0.025 local terms energy: -49.469639 where: bonds (distance) C4'-P energy: -10.122 bonds (distance) P-C4' energy: -16.006 flat angles C4'-P-C4' energy: -11.335 flat angles P-C4'-P energy: -9.271 tors. eta vs tors. theta energy: -2.735 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: 4 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -120.502306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.502306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.502306 (E_RNA) where: Base-Base interactions energy: -74.817 where: short stacking energy: -51.318 Base-Backbone interact. energy: -0.037 local terms energy: -45.648277 where: bonds (distance) C4'-P energy: -11.243 bonds (distance) P-C4' energy: -7.162 flat angles C4'-P-C4' energy: -11.669 flat angles P-C4'-P energy: -10.030 tors. eta vs tors. theta energy: -5.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -87.532030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.532030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.532030 (E_RNA) where: Base-Base interactions energy: -33.825 where: short stacking energy: -33.825 Base-Backbone interact. energy: -0.034 local terms energy: -53.673703 where: bonds (distance) C4'-P energy: -11.564 bonds (distance) P-C4' energy: -15.509 flat angles C4'-P-C4' energy: -12.316 flat angles P-C4'-P energy: -7.615 tors. eta vs tors. theta energy: -6.670 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: 5 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -84.578680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.578680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.578680 (E_RNA) where: Base-Base interactions energy: -41.356 where: short stacking energy: -36.458 Base-Backbone interact. energy: -0.032 local terms energy: -43.191075 where: bonds (distance) C4'-P energy: -8.324 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -10.252 flat angles P-C4'-P energy: -7.302 tors. eta vs tors. theta energy: -4.211 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: 9 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -79.610879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.610879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.610879 (E_RNA) where: Base-Base interactions energy: -31.345 where: short stacking energy: -31.345 Base-Backbone interact. energy: -0.006 local terms energy: -48.259892 where: bonds (distance) C4'-P energy: -12.232 bonds (distance) P-C4' energy: -12.173 flat angles C4'-P-C4' energy: -12.029 flat angles P-C4'-P energy: -8.438 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: 1, replica: 6 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -162.982385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.982385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.982385 (E_RNA) where: Base-Base interactions energy: -95.204 where: short stacking energy: -63.256 Base-Backbone interact. energy: -0.006 local terms energy: -67.772267 where: bonds (distance) C4'-P energy: -13.838 bonds (distance) P-C4' energy: -14.709 flat angles C4'-P-C4' energy: -15.068 flat angles P-C4'-P energy: -9.711 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: 8 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -152.417240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.417240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.417240 (E_RNA) where: Base-Base interactions energy: -90.648 where: short stacking energy: -53.074 Base-Backbone interact. energy: -0.102 local terms energy: -61.667397 where: bonds (distance) C4'-P energy: -13.864 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -11.593 flat angles P-C4'-P energy: -8.827 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: 3, replica: 7 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -150.262031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.262031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.262031 (E_RNA) where: Base-Base interactions energy: -90.242 where: short stacking energy: -58.945 Base-Backbone interact. energy: -0.001 local terms energy: -60.018577 where: bonds (distance) C4'-P energy: -11.477 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -11.926 flat angles P-C4'-P energy: -7.557 tors. eta vs tors. theta energy: -13.987 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: 2 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -141.916777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.916777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.916777 (E_RNA) where: Base-Base interactions energy: -84.725 where: short stacking energy: -48.598 Base-Backbone interact. energy: -1.465 local terms energy: -55.726681 where: bonds (distance) C4'-P energy: -12.000 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -14.124 flat angles P-C4'-P energy: -7.098 tors. eta vs tors. theta energy: -7.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -93.756475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.756475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.756475 (E_RNA) where: Base-Base interactions energy: -39.532 where: short stacking energy: -36.055 Base-Backbone interact. energy: -0.006 local terms energy: -54.218698 where: bonds (distance) C4'-P energy: -13.672 bonds (distance) P-C4' energy: -10.585 flat angles C4'-P-C4' energy: -13.387 flat angles P-C4'-P energy: -7.093 tors. eta vs tors. theta energy: -9.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -131.657206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.657206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.657206 (E_RNA) where: Base-Base interactions energy: -80.597 where: short stacking energy: -54.966 Base-Backbone interact. energy: -0.162 local terms energy: -50.897754 where: bonds (distance) C4'-P energy: -7.453 bonds (distance) P-C4' energy: -8.743 flat angles C4'-P-C4' energy: -12.149 flat angles P-C4'-P energy: -11.112 tors. eta vs tors. theta energy: -11.441 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: 7, replica: 4 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -120.666504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.666504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.666504 (E_RNA) where: Base-Base interactions energy: -74.066 where: short stacking energy: -46.331 Base-Backbone interact. energy: -0.022 local terms energy: -46.578704 where: bonds (distance) C4'-P energy: -12.308 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -0.770 flat angles P-C4'-P energy: -6.325 tors. eta vs tors. theta energy: -14.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -78.443700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.443700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.443700 (E_RNA) where: Base-Base interactions energy: -34.527 where: short stacking energy: -34.527 Base-Backbone interact. energy: -0.221 local terms energy: -43.695512 where: bonds (distance) C4'-P energy: -12.724 bonds (distance) P-C4' energy: -6.436 flat angles C4'-P-C4' energy: -13.111 flat angles P-C4'-P energy: -5.512 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: 9, replica: 9 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -80.674162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.674162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.674162 (E_RNA) where: Base-Base interactions energy: -34.107 where: short stacking energy: -34.607 Base-Backbone interact. energy: 1.028 local terms energy: -47.595118 where: bonds (distance) C4'-P energy: -10.236 bonds (distance) P-C4' energy: -9.927 flat angles C4'-P-C4' energy: -12.075 flat angles P-C4'-P energy: -8.190 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: 10, replica: 5 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -75.305790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.305790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.305790 (E_RNA) where: Base-Base interactions energy: -33.448 where: short stacking energy: -33.448 Base-Backbone interact. energy: 0.170 local terms energy: -42.028074 where: bonds (distance) C4'-P energy: -14.147 bonds (distance) P-C4' energy: -11.405 flat angles C4'-P-C4' energy: -11.588 flat angles P-C4'-P energy: -2.885 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: 1, replica: 6 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -162.343235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.343235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.343235 (E_RNA) where: Base-Base interactions energy: -97.447 where: short stacking energy: -61.171 Base-Backbone interact. energy: -0.027 local terms energy: -64.869436 where: bonds (distance) C4'-P energy: -11.921 bonds (distance) P-C4' energy: -15.509 flat angles C4'-P-C4' energy: -12.747 flat angles P-C4'-P energy: -8.855 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: 2, replica: 8 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -150.174835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.174835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.174835 (E_RNA) where: Base-Base interactions energy: -90.566 where: short stacking energy: -50.490 Base-Backbone interact. energy: -1.328 local terms energy: -58.281490 where: bonds (distance) C4'-P energy: -12.252 bonds (distance) P-C4' energy: -11.386 flat angles C4'-P-C4' energy: -12.308 flat angles P-C4'-P energy: -10.543 tors. eta vs tors. theta energy: -11.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -161.086139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.086139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.086139 (E_RNA) where: Base-Base interactions energy: -98.757 where: short stacking energy: -61.524 Base-Backbone interact. energy: -0.100 local terms energy: -62.229493 where: bonds (distance) C4'-P energy: -13.209 bonds (distance) P-C4' energy: -12.486 flat angles C4'-P-C4' energy: -12.391 flat angles P-C4'-P energy: -8.020 tors. eta vs tors. theta energy: -16.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -136.101711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.101711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.101711 (E_RNA) where: Base-Base interactions energy: -78.535 where: short stacking energy: -47.755 Base-Backbone interact. energy: -0.704 local terms energy: -56.862431 where: bonds (distance) C4'-P energy: -13.821 bonds (distance) P-C4' energy: -14.793 flat angles C4'-P-C4' energy: -10.720 flat angles P-C4'-P energy: -9.232 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: 3 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -107.495760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.495760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.495760 (E_RNA) where: Base-Base interactions energy: -49.199 where: short stacking energy: -49.199 Base-Backbone interact. energy: -0.037 local terms energy: -58.259588 where: bonds (distance) C4'-P energy: -12.222 bonds (distance) P-C4' energy: -12.892 flat angles C4'-P-C4' energy: -14.755 flat angles P-C4'-P energy: -6.526 tors. eta vs tors. theta energy: -11.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -147.514879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.514879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.514879 (E_RNA) where: Base-Base interactions energy: -83.841 where: short stacking energy: -46.578 Base-Backbone interact. energy: -0.132 local terms energy: -63.541544 where: bonds (distance) C4'-P energy: -13.772 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -14.380 flat angles P-C4'-P energy: -8.601 tors. eta vs tors. theta energy: -12.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -121.496851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.496851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.496851 (E_RNA) where: Base-Base interactions energy: -81.027 where: short stacking energy: -48.898 Base-Backbone interact. energy: -0.015 local terms energy: -40.454092 where: bonds (distance) C4'-P energy: -10.456 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -12.038 flat angles P-C4'-P energy: -2.751 tors. eta vs tors. theta energy: -6.094 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: 9 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -85.710562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.710562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.710562 (E_RNA) where: Base-Base interactions energy: -37.393 where: short stacking energy: -36.725 Base-Backbone interact. energy: -0.060 local terms energy: -48.257777 where: bonds (distance) C4'-P energy: -13.361 bonds (distance) P-C4' energy: -6.165 flat angles C4'-P-C4' energy: -14.367 flat angles P-C4'-P energy: -8.149 tors. eta vs tors. theta energy: -6.216 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: 413 Temperature: 1.300000 Total energy: -83.242422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.242422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.242422 (E_RNA) where: Base-Base interactions energy: -31.504 where: short stacking energy: -27.388 Base-Backbone interact. energy: 0.859 local terms energy: -52.597289 where: bonds (distance) C4'-P energy: -14.467 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -12.299 flat angles P-C4'-P energy: -8.599 tors. eta vs tors. theta energy: -1.476 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: 5 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -79.308794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.308794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.308794 (E_RNA) where: Base-Base interactions energy: -41.327 where: short stacking energy: -37.001 Base-Backbone interact. energy: -0.097 local terms energy: -37.884780 where: bonds (distance) C4'-P energy: -10.149 bonds (distance) P-C4' energy: -7.955 flat angles C4'-P-C4' energy: -10.793 flat angles P-C4'-P energy: -7.076 tors. eta vs tors. theta energy: -1.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -164.912248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.912248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.912248 (E_RNA) where: Base-Base interactions energy: -106.070 where: short stacking energy: -60.694 Base-Backbone interact. energy: -0.653 local terms energy: -58.189073 where: bonds (distance) C4'-P energy: -8.537 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -14.260 flat angles P-C4'-P energy: -5.869 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: 2, replica: 6 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -150.127353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.127353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.127353 (E_RNA) where: Base-Base interactions energy: -90.291 where: short stacking energy: -61.334 Base-Backbone interact. energy: -0.293 local terms energy: -59.543456 where: bonds (distance) C4'-P energy: -13.038 bonds (distance) P-C4' energy: -14.035 flat angles C4'-P-C4' energy: -10.661 flat angles P-C4'-P energy: -6.739 tors. eta vs tors. theta energy: -15.071 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: 3, replica: 7 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -161.402633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.402633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.402633 (E_RNA) where: Base-Base interactions energy: -92.971 where: short stacking energy: -60.302 Base-Backbone interact. energy: -0.007 local terms energy: -68.424630 where: bonds (distance) C4'-P energy: -14.174 bonds (distance) P-C4' energy: -13.269 flat angles C4'-P-C4' energy: -13.978 flat angles P-C4'-P energy: -10.737 tors. eta vs tors. theta energy: -16.267 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: 2 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -134.573620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.573620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.573620 (E_RNA) where: Base-Base interactions energy: -79.901 where: short stacking energy: -50.426 Base-Backbone interact. energy: -0.612 local terms energy: -54.060952 where: bonds (distance) C4'-P energy: -12.302 bonds (distance) P-C4' energy: -13.965 flat angles C4'-P-C4' energy: -12.331 flat angles P-C4'-P energy: -6.329 tors. eta vs tors. theta energy: -9.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -126.531597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.531597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.531597 (E_RNA) where: Base-Base interactions energy: -76.512 where: short stacking energy: -50.044 Base-Backbone interact. energy: -0.007 local terms energy: -50.012447 where: bonds (distance) C4'-P energy: -12.862 bonds (distance) P-C4' energy: -13.600 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -10.940 tors. eta vs tors. theta energy: -6.479 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: 414 Temperature: 1.150000 Total energy: -102.051504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.051504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.051504 (E_RNA) where: Base-Base interactions energy: -54.583 where: short stacking energy: -51.322 Base-Backbone interact. energy: -0.129 local terms energy: -47.339250 where: bonds (distance) C4'-P energy: -7.809 bonds (distance) P-C4' energy: -10.749 flat angles C4'-P-C4' energy: -7.329 flat angles P-C4'-P energy: -9.331 tors. eta vs tors. theta energy: -12.120 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: 4 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -126.653925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.653925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.653925 (E_RNA) where: Base-Base interactions energy: -81.863 where: short stacking energy: -41.322 Base-Backbone interact. energy: -0.364 local terms energy: -44.426965 where: bonds (distance) C4'-P energy: -7.739 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -12.121 flat angles P-C4'-P energy: -6.681 tors. eta vs tors. theta energy: -3.717 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: 9 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -82.983845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.983845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.983845 (E_RNA) where: Base-Base interactions energy: -37.249 where: short stacking energy: -34.548 Base-Backbone interact. energy: -0.160 local terms energy: -45.574753 where: bonds (distance) C4'-P energy: -14.050 bonds (distance) P-C4' energy: -12.625 flat angles C4'-P-C4' energy: -11.402 flat angles P-C4'-P energy: -1.205 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: 9, replica: 10 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -76.066953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.066953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.066953 (E_RNA) where: Base-Base interactions energy: -29.964 where: short stacking energy: -29.964 Base-Backbone interact. energy: -0.035 local terms energy: -46.067325 where: bonds (distance) C4'-P energy: -11.701 bonds (distance) P-C4' energy: -9.144 flat angles C4'-P-C4' energy: -14.971 flat angles P-C4'-P energy: -7.569 tors. eta vs tors. theta energy: -2.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -86.299745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.299745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.299745 (E_RNA) where: Base-Base interactions energy: -34.934 where: short stacking energy: -34.934 Base-Backbone interact. energy: -0.049 local terms energy: -51.316274 where: bonds (distance) C4'-P energy: -11.394 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -10.656 flat angles P-C4'-P energy: -5.813 tors. eta vs tors. theta energy: -8.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -164.806203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.806203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.806203 (E_RNA) where: Base-Base interactions energy: -102.393 where: short stacking energy: -70.361 Base-Backbone interact. energy: -0.370 local terms energy: -62.043413 where: bonds (distance) C4'-P energy: -12.304 bonds (distance) P-C4' energy: -12.795 flat angles C4'-P-C4' energy: -12.769 flat angles P-C4'-P energy: -7.987 tors. eta vs tors. theta energy: -16.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -145.050843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.050843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.050843 (E_RNA) where: Base-Base interactions energy: -82.237 where: short stacking energy: -50.802 Base-Backbone interact. energy: -0.003 local terms energy: -62.810836 where: bonds (distance) C4'-P energy: -13.295 bonds (distance) P-C4' energy: -12.511 flat angles C4'-P-C4' energy: -14.960 flat angles P-C4'-P energy: -8.566 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: 3, replica: 7 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -149.285639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.285639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.285639 (E_RNA) where: Base-Base interactions energy: -98.717 where: short stacking energy: -61.364 Base-Backbone interact. energy: -0.005 local terms energy: -50.563967 where: bonds (distance) C4'-P energy: -10.294 bonds (distance) P-C4' energy: -8.224 flat angles C4'-P-C4' energy: -11.863 flat angles P-C4'-P energy: -6.132 tors. eta vs tors. theta energy: -14.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -134.517846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.517846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.517846 (E_RNA) where: Base-Base interactions energy: -79.216 where: short stacking energy: -49.989 Base-Backbone interact. energy: -0.017 local terms energy: -55.284494 where: bonds (distance) C4'-P energy: -12.665 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -12.081 flat angles P-C4'-P energy: -8.902 tors. eta vs tors. theta energy: -8.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -125.400324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.400324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.400324 (E_RNA) where: Base-Base interactions energy: -75.110 where: short stacking energy: -50.470 Base-Backbone interact. energy: -0.200 local terms energy: -50.089670 where: bonds (distance) C4'-P energy: -11.127 bonds (distance) P-C4' energy: -15.298 flat angles C4'-P-C4' energy: -8.222 flat angles P-C4'-P energy: -8.093 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: 6, replica: 4 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -128.857342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.857342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.857342 (E_RNA) where: Base-Base interactions energy: -71.980 where: short stacking energy: -44.650 Base-Backbone interact. energy: -0.003 local terms energy: -56.874727 where: bonds (distance) C4'-P energy: -13.068 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -10.022 flat angles P-C4'-P energy: -8.213 tors. eta vs tors. theta energy: -10.673 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: 3 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -89.655870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.655870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.655870 (E_RNA) where: Base-Base interactions energy: -40.867 where: short stacking energy: -34.592 Base-Backbone interact. energy: -0.651 local terms energy: -48.137625 where: bonds (distance) C4'-P energy: -9.991 bonds (distance) P-C4' energy: -8.783 flat angles C4'-P-C4' energy: -14.493 flat angles P-C4'-P energy: -11.674 tors. eta vs tors. theta energy: -3.197 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: 415 Temperature: 1.250000 Total energy: -97.373391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.373391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.373391 (E_RNA) where: Base-Base interactions energy: -50.050 where: short stacking energy: -48.671 Base-Backbone interact. energy: -0.109 local terms energy: -47.214775 where: bonds (distance) C4'-P energy: -10.331 bonds (distance) P-C4' energy: -13.030 flat angles C4'-P-C4' energy: -9.749 flat angles P-C4'-P energy: -5.865 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: 9, replica: 9 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -86.395841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.395841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.395841 (E_RNA) where: Base-Base interactions energy: -40.096 where: short stacking energy: -30.414 Base-Backbone interact. energy: -0.025 local terms energy: -46.274510 where: bonds (distance) C4'-P energy: -9.184 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -12.361 flat angles P-C4'-P energy: -7.848 tors. eta vs tors. theta energy: -1.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -61.261868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.261868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.261868 (E_RNA) where: Base-Base interactions energy: -24.167 where: short stacking energy: -24.167 Base-Backbone interact. energy: -0.175 local terms energy: -36.920195 where: bonds (distance) C4'-P energy: -8.314 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -14.329 flat angles P-C4'-P energy: -5.796 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: 6 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -166.600927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.600927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.600927 (E_RNA) where: Base-Base interactions energy: -100.333 where: short stacking energy: -65.028 Base-Backbone interact. energy: -0.380 local terms energy: -65.887932 where: bonds (distance) C4'-P energy: -11.753 bonds (distance) P-C4' energy: -13.852 flat angles C4'-P-C4' energy: -11.104 flat angles P-C4'-P energy: -11.495 tors. eta vs tors. theta energy: -17.684 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: 8 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -167.024818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.024818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.024818 (E_RNA) where: Base-Base interactions energy: -98.584 where: short stacking energy: -67.369 Base-Backbone interact. energy: -0.038 local terms energy: -68.402987 where: bonds (distance) C4'-P energy: -12.773 bonds (distance) P-C4' energy: -13.986 flat angles C4'-P-C4' energy: -13.972 flat angles P-C4'-P energy: -9.754 tors. eta vs tors. theta energy: -17.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -140.128333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.128333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.128333 (E_RNA) where: Base-Base interactions energy: -82.951 where: short stacking energy: -58.028 Base-Backbone interact. energy: -0.024 local terms energy: -57.153438 where: bonds (distance) C4'-P energy: -15.187 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -10.379 flat angles P-C4'-P energy: -6.409 tors. eta vs tors. theta energy: -11.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -140.709930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.709930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.709930 (E_RNA) where: Base-Base interactions energy: -92.929 where: short stacking energy: -50.595 Base-Backbone interact. energy: -0.009 local terms energy: -47.771821 where: bonds (distance) C4'-P energy: -11.535 bonds (distance) P-C4' energy: -11.588 flat angles C4'-P-C4' energy: -12.830 flat angles P-C4'-P energy: -1.661 tors. eta vs tors. theta energy: -10.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -149.532967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.532967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.532967 (E_RNA) where: Base-Base interactions energy: -93.439 where: short stacking energy: -57.355 Base-Backbone interact. energy: -0.045 local terms energy: -56.048253 where: bonds (distance) C4'-P energy: -11.731 bonds (distance) P-C4' energy: -11.598 flat angles C4'-P-C4' energy: -13.376 flat angles P-C4'-P energy: -8.597 tors. eta vs tors. theta energy: -10.745 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: 2 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -124.226525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.226525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.226525 (E_RNA) where: Base-Base interactions energy: -70.090 where: short stacking energy: -41.853 Base-Backbone interact. energy: -0.299 local terms energy: -53.837800 where: bonds (distance) C4'-P energy: -12.737 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -10.148 flat angles P-C4'-P energy: -8.054 tors. eta vs tors. theta energy: -8.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -86.195652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.195652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.195652 (E_RNA) where: Base-Base interactions energy: -42.884 where: short stacking energy: -33.147 Base-Backbone interact. energy: -0.149 local terms energy: -43.163305 where: bonds (distance) C4'-P energy: -13.659 bonds (distance) P-C4' energy: -10.740 flat angles C4'-P-C4' energy: -13.145 flat angles P-C4'-P energy: -4.588 tors. eta vs tors. theta energy: -1.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -85.767775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.767775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.767775 (E_RNA) where: Base-Base interactions energy: -35.947 where: short stacking energy: -35.128 Base-Backbone interact. energy: -0.104 local terms energy: -49.716221 where: bonds (distance) C4'-P energy: -13.180 bonds (distance) P-C4' energy: -16.479 flat angles C4'-P-C4' energy: -10.625 flat angles P-C4'-P energy: -6.365 tors. eta vs tors. theta energy: -3.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -80.989208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.989208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.989208 (E_RNA) where: Base-Base interactions energy: -36.549 where: short stacking energy: -28.965 Base-Backbone interact. energy: 2.578 local terms energy: -47.017635 where: bonds (distance) C4'-P energy: -12.103 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -7.660 flat angles P-C4'-P energy: -10.499 tors. eta vs tors. theta energy: -3.223 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: 9 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -78.878788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.878788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.878788 (E_RNA) where: Base-Base interactions energy: -39.647 where: short stacking energy: -39.647 Base-Backbone interact. energy: -0.392 local terms energy: -38.840369 where: bonds (distance) C4'-P energy: -9.313 bonds (distance) P-C4' energy: -10.657 flat angles C4'-P-C4' energy: -8.415 flat angles P-C4'-P energy: -1.575 tors. eta vs tors. theta energy: -8.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -159.046052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.046052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.046052 (E_RNA) where: Base-Base interactions energy: -93.768 where: short stacking energy: -63.329 Base-Backbone interact. energy: -0.100 local terms energy: -65.177735 where: bonds (distance) C4'-P energy: -15.196 bonds (distance) P-C4' energy: -13.212 flat angles C4'-P-C4' energy: -12.362 flat angles P-C4'-P energy: -8.216 tors. eta vs tors. theta energy: -16.192 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: 8 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -166.538644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.538644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.538644 (E_RNA) where: Base-Base interactions energy: -101.575 where: short stacking energy: -60.781 Base-Backbone interact. energy: -0.053 local terms energy: -64.910907 where: bonds (distance) C4'-P energy: -10.944 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -13.951 flat angles P-C4'-P energy: -11.150 tors. eta vs tors. theta energy: -15.813 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: 7 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -142.837799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.837799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.837799 (E_RNA) where: Base-Base interactions energy: -85.239 where: short stacking energy: -49.400 Base-Backbone interact. energy: -0.443 local terms energy: -57.156174 where: bonds (distance) C4'-P energy: -13.154 bonds (distance) P-C4' energy: -11.598 flat angles C4'-P-C4' energy: -13.130 flat angles P-C4'-P energy: -6.509 tors. eta vs tors. theta energy: -12.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -136.415277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.415277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.415277 (E_RNA) where: Base-Base interactions energy: -81.396 where: short stacking energy: -52.437 Base-Backbone interact. energy: -1.130 local terms energy: -53.889811 where: bonds (distance) C4'-P energy: -11.025 bonds (distance) P-C4' energy: -13.054 flat angles C4'-P-C4' energy: -9.658 flat angles P-C4'-P energy: -10.781 tors. eta vs tors. theta energy: -9.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -142.418075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.418075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.418075 (E_RNA) where: Base-Base interactions energy: -87.579 where: short stacking energy: -56.451 Base-Backbone interact. energy: -0.048 local terms energy: -54.791119 where: bonds (distance) C4'-P energy: -13.350 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -12.685 flat angles P-C4'-P energy: -11.772 tors. eta vs tors. theta energy: -9.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -125.316304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.316304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.316304 (E_RNA) where: Base-Base interactions energy: -75.570 where: short stacking energy: -48.467 Base-Backbone interact. energy: -0.006 local terms energy: -49.740049 where: bonds (distance) C4'-P energy: -12.015 bonds (distance) P-C4' energy: -11.236 flat angles C4'-P-C4' energy: -11.938 flat angles P-C4'-P energy: -6.953 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: 7, replica: 10 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -77.591572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.591572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.591572 (E_RNA) where: Base-Base interactions energy: -33.288 where: short stacking energy: -29.775 Base-Backbone interact. energy: -0.238 local terms energy: -44.064899 where: bonds (distance) C4'-P energy: -10.492 bonds (distance) P-C4' energy: -11.011 flat angles C4'-P-C4' energy: -7.617 flat angles P-C4'-P energy: -7.018 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: 8, replica: 5 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -81.655763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.655763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.655763 (E_RNA) where: Base-Base interactions energy: -35.512 where: short stacking energy: -35.512 Base-Backbone interact. energy: -0.377 local terms energy: -45.766789 where: bonds (distance) C4'-P energy: -7.654 bonds (distance) P-C4' energy: -14.163 flat angles C4'-P-C4' energy: -9.247 flat angles P-C4'-P energy: -5.685 tors. eta vs tors. theta energy: -9.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -85.053245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.053245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.053245 (E_RNA) where: Base-Base interactions energy: -31.993 where: short stacking energy: -31.993 Base-Backbone interact. energy: -0.048 local terms energy: -53.012126 where: bonds (distance) C4'-P energy: -12.815 bonds (distance) P-C4' energy: -14.009 flat angles C4'-P-C4' energy: -11.407 flat angles P-C4'-P energy: -10.273 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: 10, replica: 9 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -80.095926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.095926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.095926 (E_RNA) where: Base-Base interactions energy: -36.466 where: short stacking energy: -34.268 Base-Backbone interact. energy: 1.014 local terms energy: -44.643357 where: bonds (distance) C4'-P energy: -7.181 bonds (distance) P-C4' energy: -14.485 flat angles C4'-P-C4' energy: -9.535 flat angles P-C4'-P energy: -6.903 tors. eta vs tors. theta energy: -6.540 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: 8 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -169.234784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.234784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.234784 (E_RNA) where: Base-Base interactions energy: -105.065 where: short stacking energy: -62.879 Base-Backbone interact. energy: -0.324 local terms energy: -63.845886 where: bonds (distance) C4'-P energy: -13.453 bonds (distance) P-C4' energy: -14.783 flat angles C4'-P-C4' energy: -12.952 flat angles P-C4'-P energy: -10.480 tors. eta vs tors. theta energy: -12.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -169.152111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.152111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.152111 (E_RNA) where: Base-Base interactions energy: -105.272 where: short stacking energy: -63.960 Base-Backbone interact. energy: -0.002 local terms energy: -63.878492 where: bonds (distance) C4'-P energy: -11.593 bonds (distance) P-C4' energy: -14.281 flat angles C4'-P-C4' energy: -12.342 flat angles P-C4'-P energy: -9.973 tors. eta vs tors. theta energy: -15.689 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: 3, replica: 4 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -151.596439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.596439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.596439 (E_RNA) where: Base-Base interactions energy: -93.807 where: short stacking energy: -53.479 Base-Backbone interact. energy: -0.031 local terms energy: -57.758524 where: bonds (distance) C4'-P energy: -10.807 bonds (distance) P-C4' energy: -12.582 flat angles C4'-P-C4' energy: -11.460 flat angles P-C4'-P energy: -10.799 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: 7 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -136.873932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.873932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.873932 (E_RNA) where: Base-Base interactions energy: -82.864 where: short stacking energy: -48.949 Base-Backbone interact. energy: -0.169 local terms energy: -53.841739 where: bonds (distance) C4'-P energy: -13.767 bonds (distance) P-C4' energy: -10.667 flat angles C4'-P-C4' energy: -12.275 flat angles P-C4'-P energy: -7.539 tors. eta vs tors. theta energy: -9.595 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: 1 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -129.505619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.505619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.505619 (E_RNA) where: Base-Base interactions energy: -77.092 where: short stacking energy: -46.898 Base-Backbone interact. energy: -0.101 local terms energy: -52.312887 where: bonds (distance) C4'-P energy: -9.887 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -9.873 flat angles P-C4'-P energy: -7.672 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: 6, replica: 2 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -116.782288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.782288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.782288 (E_RNA) where: Base-Base interactions energy: -70.513 where: short stacking energy: -42.146 Base-Backbone interact. energy: -0.005 local terms energy: -46.263912 where: bonds (distance) C4'-P energy: -12.735 bonds (distance) P-C4' energy: -13.725 flat angles C4'-P-C4' energy: -13.508 flat angles P-C4'-P energy: -0.801 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: 7, replica: 5 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -88.211090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.211090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.211090 (E_RNA) where: Base-Base interactions energy: -39.217 where: short stacking energy: -38.397 Base-Backbone interact. energy: -0.037 local terms energy: -48.957122 where: bonds (distance) C4'-P energy: -8.135 bonds (distance) P-C4' energy: -14.400 flat angles C4'-P-C4' energy: -11.458 flat angles P-C4'-P energy: -6.630 tors. eta vs tors. theta energy: -8.335 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: 10 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -87.358774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.358774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.358774 (E_RNA) where: Base-Base interactions energy: -35.061 where: short stacking energy: -34.694 Base-Backbone interact. energy: -0.129 local terms energy: -52.168605 where: bonds (distance) C4'-P energy: -12.103 bonds (distance) P-C4' energy: -13.394 flat angles C4'-P-C4' energy: -11.958 flat angles P-C4'-P energy: -6.292 tors. eta vs tors. theta energy: -8.422 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: 9 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -88.686051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.686051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.686051 (E_RNA) where: Base-Base interactions energy: -42.330 where: short stacking energy: -40.562 Base-Backbone interact. energy: -0.003 local terms energy: -46.353271 where: bonds (distance) C4'-P energy: -14.388 bonds (distance) P-C4' energy: -14.668 flat angles C4'-P-C4' energy: -7.436 flat angles P-C4'-P energy: -1.228 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: 10, replica: 3 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -74.182549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.182549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.182549 (E_RNA) where: Base-Base interactions energy: -30.168 where: short stacking energy: -18.175 Base-Backbone interact. energy: 0.616 local terms energy: -44.630901 where: bonds (distance) C4'-P energy: -8.675 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -8.653 flat angles P-C4'-P energy: -8.472 tors. eta vs tors. theta energy: -4.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -174.033860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.033860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.033860 (E_RNA) where: Base-Base interactions energy: -106.694 where: short stacking energy: -65.658 Base-Backbone interact. energy: 2.440 local terms energy: -69.780224 where: bonds (distance) C4'-P energy: -11.396 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -15.130 flat angles P-C4'-P energy: -12.071 tors. eta vs tors. theta energy: -15.901 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: 4 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -159.323794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.323794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.323794 (E_RNA) where: Base-Base interactions energy: -96.180 where: short stacking energy: -57.745 Base-Backbone interact. energy: -0.006 local terms energy: -63.137660 where: bonds (distance) C4'-P energy: -11.966 bonds (distance) P-C4' energy: -12.486 flat angles C4'-P-C4' energy: -13.360 flat angles P-C4'-P energy: -11.958 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: 6 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -149.058589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.058589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.058589 (E_RNA) where: Base-Base interactions energy: -93.476 where: short stacking energy: -57.398 Base-Backbone interact. energy: -0.012 local terms energy: -55.570759 where: bonds (distance) C4'-P energy: -11.379 bonds (distance) P-C4' energy: -10.546 flat angles C4'-P-C4' energy: -13.956 flat angles P-C4'-P energy: -7.506 tors. eta vs tors. theta energy: -12.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -142.567485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.567485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.567485 (E_RNA) where: Base-Base interactions energy: -87.024 where: short stacking energy: -54.969 Base-Backbone interact. energy: -0.047 local terms energy: -55.496997 where: bonds (distance) C4'-P energy: -9.229 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -12.640 flat angles P-C4'-P energy: -5.483 tors. eta vs tors. theta energy: -13.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -126.951110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.951110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.951110 (E_RNA) where: Base-Base interactions energy: -72.822 where: short stacking energy: -46.030 Base-Backbone interact. energy: -0.649 local terms energy: -53.479180 where: bonds (distance) C4'-P energy: -12.002 bonds (distance) P-C4' energy: -12.803 flat angles C4'-P-C4' energy: -10.657 flat angles P-C4'-P energy: -10.413 tors. eta vs tors. theta energy: -7.603 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: 419 Temperature: 1.150000 Total energy: -126.137143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.137143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.137143 (E_RNA) where: Base-Base interactions energy: -72.332 where: short stacking energy: -47.040 Base-Backbone interact. energy: -0.149 local terms energy: -53.656146 where: bonds (distance) C4'-P energy: -10.386 bonds (distance) P-C4' energy: -12.794 flat angles C4'-P-C4' energy: -13.251 flat angles P-C4'-P energy: -10.867 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: 7, replica: 5 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -116.086095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.086095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.086095 (E_RNA) where: Base-Base interactions energy: -60.263 where: short stacking energy: -59.335 Base-Backbone interact. energy: -0.007 local terms energy: -55.815962 where: bonds (distance) C4'-P energy: -10.950 bonds (distance) P-C4' energy: -8.900 flat angles C4'-P-C4' energy: -12.951 flat angles P-C4'-P energy: -8.024 tors. eta vs tors. theta energy: -14.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -82.375393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.375393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.375393 (E_RNA) where: Base-Base interactions energy: -44.727 where: short stacking energy: -35.254 Base-Backbone interact. energy: -0.118 local terms energy: -37.531102 where: bonds (distance) C4'-P energy: -8.397 bonds (distance) P-C4' energy: -6.068 flat angles C4'-P-C4' energy: -11.578 flat angles P-C4'-P energy: -9.222 tors. eta vs tors. theta energy: -2.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -76.278176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.278176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.278176 (E_RNA) where: Base-Base interactions energy: -30.672 where: short stacking energy: -30.672 Base-Backbone interact. energy: -0.190 local terms energy: -45.415754 where: bonds (distance) C4'-P energy: -11.487 bonds (distance) P-C4' energy: -12.050 flat angles C4'-P-C4' energy: -9.170 flat angles P-C4'-P energy: -10.159 tors. eta vs tors. theta energy: -2.550 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: 3 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -75.945354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.945354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.945354 (E_RNA) where: Base-Base interactions energy: -32.256 where: short stacking energy: -31.113 Base-Backbone interact. energy: -0.174 local terms energy: -43.514911 where: bonds (distance) C4'-P energy: -14.210 bonds (distance) P-C4' energy: -13.648 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -7.370 tors. eta vs tors. theta energy: -2.313 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: 420 Temperature: 0.900000 Total energy: -158.452489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.452489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.452489 (E_RNA) where: Base-Base interactions energy: -99.686 where: short stacking energy: -63.392 Base-Backbone interact. energy: -0.009 local terms energy: -58.756714 where: bonds (distance) C4'-P energy: -12.319 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -12.092 flat angles P-C4'-P energy: -6.828 tors. eta vs tors. theta energy: -13.305 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: 8 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -166.324226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.324226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.324226 (E_RNA) where: Base-Base interactions energy: -105.253 where: short stacking energy: -58.060 Base-Backbone interact. energy: -0.010 local terms energy: -61.062004 where: bonds (distance) C4'-P energy: -12.922 bonds (distance) P-C4' energy: -12.363 flat angles C4'-P-C4' energy: -13.196 flat angles P-C4'-P energy: -8.387 tors. eta vs tors. theta energy: -14.194 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: 7 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -142.796702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.796702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.796702 (E_RNA) where: Base-Base interactions energy: -88.507 where: short stacking energy: -48.362 Base-Backbone interact. energy: -0.706 local terms energy: -53.584376 where: bonds (distance) C4'-P energy: -12.369 bonds (distance) P-C4' energy: -10.158 flat angles C4'-P-C4' energy: -10.180 flat angles P-C4'-P energy: -10.212 tors. eta vs tors. theta energy: -10.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -140.295246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.295246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.295246 (E_RNA) where: Base-Base interactions energy: -85.112 where: short stacking energy: -54.545 Base-Backbone interact. energy: -0.106 local terms energy: -55.077236 where: bonds (distance) C4'-P energy: -11.307 bonds (distance) P-C4' energy: -11.042 flat angles C4'-P-C4' energy: -10.966 flat angles P-C4'-P energy: -8.534 tors. eta vs tors. theta energy: -13.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -142.142668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.142668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.142668 (E_RNA) where: Base-Base interactions energy: -93.841 where: short stacking energy: -47.648 Base-Backbone interact. energy: 2.435 local terms energy: -50.736778 where: bonds (distance) C4'-P energy: -10.242 bonds (distance) P-C4' energy: -13.538 flat angles C4'-P-C4' energy: -12.588 flat angles P-C4'-P energy: -6.988 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: 6, replica: 1 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -134.448676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.448676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.448676 (E_RNA) where: Base-Base interactions energy: -73.245 where: short stacking energy: -40.472 Base-Backbone interact. energy: -0.782 local terms energy: -60.421598 where: bonds (distance) C4'-P energy: -13.763 bonds (distance) P-C4' energy: -11.692 flat angles C4'-P-C4' energy: -14.604 flat angles P-C4'-P energy: -11.366 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: 7, replica: 5 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -101.148739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.148739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.148739 (E_RNA) where: Base-Base interactions energy: -48.452 where: short stacking energy: -48.452 Base-Backbone interact. energy: -0.001 local terms energy: -52.696162 where: bonds (distance) C4'-P energy: -12.152 bonds (distance) P-C4' energy: -9.775 flat angles C4'-P-C4' energy: -13.784 flat angles P-C4'-P energy: -6.454 tors. eta vs tors. theta energy: -10.532 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: 9 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -91.381575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.381575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.381575 (E_RNA) where: Base-Base interactions energy: -38.137 where: short stacking energy: -34.209 Base-Backbone interact. energy: -0.030 local terms energy: -53.214496 where: bonds (distance) C4'-P energy: -14.301 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -11.783 flat angles P-C4'-P energy: -7.058 tors. eta vs tors. theta energy: -5.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -74.084446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.084446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.084446 (E_RNA) where: Base-Base interactions energy: -26.557 where: short stacking energy: -26.557 Base-Backbone interact. energy: 0.471 local terms energy: -47.998035 where: bonds (distance) C4'-P energy: -14.214 bonds (distance) P-C4' energy: -13.232 flat angles C4'-P-C4' energy: -8.809 flat angles P-C4'-P energy: -10.793 tors. eta vs tors. theta energy: -0.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -71.451167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.451167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.451167 (E_RNA) where: Base-Base interactions energy: -34.638 where: short stacking energy: -30.108 Base-Backbone interact. energy: -0.076 local terms energy: -36.737634 where: bonds (distance) C4'-P energy: -9.012 bonds (distance) P-C4' energy: -7.685 flat angles C4'-P-C4' energy: -10.988 flat angles P-C4'-P energy: -7.328 tors. eta vs tors. theta energy: -1.725 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: 4 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -160.851397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.851397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.851397 (E_RNA) where: Base-Base interactions energy: -101.004 where: short stacking energy: -67.929 Base-Backbone interact. energy: -0.624 local terms energy: -59.223500 where: bonds (distance) C4'-P energy: -12.632 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -10.663 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -16.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -157.982107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.982107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.982107 (E_RNA) where: Base-Base interactions energy: -97.526 where: short stacking energy: -64.606 Base-Backbone interact. energy: -0.042 local terms energy: -60.413604 where: bonds (distance) C4'-P energy: -11.076 bonds (distance) P-C4' energy: -13.597 flat angles C4'-P-C4' energy: -13.700 flat angles P-C4'-P energy: -9.397 tors. eta vs tors. theta energy: -12.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -153.404427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.404427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.404427 (E_RNA) where: Base-Base interactions energy: -93.537 where: short stacking energy: -61.639 Base-Backbone interact. energy: -0.486 local terms energy: -59.381691 where: bonds (distance) C4'-P energy: -7.119 bonds (distance) P-C4' energy: -14.434 flat angles C4'-P-C4' energy: -13.521 flat angles P-C4'-P energy: -7.401 tors. eta vs tors. theta energy: -16.907 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: 2 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -136.271684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.271684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.271684 (E_RNA) where: Base-Base interactions energy: -79.362 where: short stacking energy: -50.002 Base-Backbone interact. energy: -0.042 local terms energy: -56.866823 where: bonds (distance) C4'-P energy: -12.239 bonds (distance) P-C4' energy: -14.658 flat angles C4'-P-C4' energy: -12.400 flat angles P-C4'-P energy: -8.812 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: 5, replica: 6 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -139.425478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.425478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.425478 (E_RNA) where: Base-Base interactions energy: -80.879 where: short stacking energy: -56.079 Base-Backbone interact. energy: -0.020 local terms energy: -58.526286 where: bonds (distance) C4'-P energy: -15.009 bonds (distance) P-C4' energy: -12.796 flat angles C4'-P-C4' energy: -8.178 flat angles P-C4'-P energy: -8.929 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: 6, replica: 1 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -129.597108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.597108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.597108 (E_RNA) where: Base-Base interactions energy: -76.418 where: short stacking energy: -45.381 Base-Backbone interact. energy: -0.341 local terms energy: -52.838183 where: bonds (distance) C4'-P energy: -11.350 bonds (distance) P-C4' energy: -12.159 flat angles C4'-P-C4' energy: -12.299 flat angles P-C4'-P energy: -9.569 tors. eta vs tors. theta energy: -7.462 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: 5 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -89.094283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.094283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.094283 (E_RNA) where: Base-Base interactions energy: -41.643 where: short stacking energy: -41.643 Base-Backbone interact. energy: -0.004 local terms energy: -47.447617 where: bonds (distance) C4'-P energy: -12.168 bonds (distance) P-C4' energy: -10.806 flat angles C4'-P-C4' energy: -10.303 flat angles P-C4'-P energy: -7.485 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: 8, replica: 3 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -83.090335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.090335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.090335 (E_RNA) where: Base-Base interactions energy: -36.033 where: short stacking energy: -33.362 Base-Backbone interact. energy: -0.059 local terms energy: -46.998243 where: bonds (distance) C4'-P energy: -9.254 bonds (distance) P-C4' energy: -9.792 flat angles C4'-P-C4' energy: -12.828 flat angles P-C4'-P energy: -9.648 tors. eta vs tors. theta energy: -5.476 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: 9 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -85.013124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.013124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.013124 (E_RNA) where: Base-Base interactions energy: -38.316 where: short stacking energy: -32.609 Base-Backbone interact. energy: -0.015 local terms energy: -46.682735 where: bonds (distance) C4'-P energy: -10.525 bonds (distance) P-C4' energy: -8.675 flat angles C4'-P-C4' energy: -12.278 flat angles P-C4'-P energy: -8.071 tors. eta vs tors. theta energy: -7.134 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: 10 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -70.904491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.904491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.904491 (E_RNA) where: Base-Base interactions energy: -26.058 where: short stacking energy: -25.662 Base-Backbone interact. energy: -0.214 local terms energy: -44.632845 where: bonds (distance) C4'-P energy: -11.030 bonds (distance) P-C4' energy: -8.788 flat angles C4'-P-C4' energy: -15.552 flat angles P-C4'-P energy: -8.625 tors. eta vs tors. theta energy: -0.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -160.211573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.211573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.211573 (E_RNA) where: Base-Base interactions energy: -97.715 where: short stacking energy: -64.346 Base-Backbone interact. energy: -0.037 local terms energy: -62.459309 where: bonds (distance) C4'-P energy: -8.376 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -12.502 flat angles P-C4'-P energy: -9.083 tors. eta vs tors. theta energy: -17.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -154.603900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.603900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.603900 (E_RNA) where: Base-Base interactions energy: -92.418 where: short stacking energy: -55.622 Base-Backbone interact. energy: -0.476 local terms energy: -61.710573 where: bonds (distance) C4'-P energy: -10.655 bonds (distance) P-C4' energy: -16.214 flat angles C4'-P-C4' energy: -12.429 flat angles P-C4'-P energy: -8.673 tors. eta vs tors. theta energy: -13.740 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: 7 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -150.072959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.072959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.072959 (E_RNA) where: Base-Base interactions energy: -85.774 where: short stacking energy: -54.275 Base-Backbone interact. energy: -0.779 local terms energy: -63.519059 where: bonds (distance) C4'-P energy: -12.405 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -14.936 flat angles P-C4'-P energy: -9.358 tors. eta vs tors. theta energy: -11.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -143.273238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.273238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.273238 (E_RNA) where: Base-Base interactions energy: -83.683 where: short stacking energy: -56.980 Base-Backbone interact. energy: -0.001 local terms energy: -59.589510 where: bonds (distance) C4'-P energy: -14.592 bonds (distance) P-C4' energy: -11.915 flat angles C4'-P-C4' energy: -12.851 flat angles P-C4'-P energy: -6.336 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: 5, replica: 1 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -142.471671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.471671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.471671 (E_RNA) where: Base-Base interactions energy: -80.230 where: short stacking energy: -53.363 Base-Backbone interact. energy: -0.219 local terms energy: -62.022723 where: bonds (distance) C4'-P energy: -10.786 bonds (distance) P-C4' energy: -13.978 flat angles C4'-P-C4' energy: -14.187 flat angles P-C4'-P energy: -10.812 tors. eta vs tors. theta energy: -12.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -126.608177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.608177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.608177 (E_RNA) where: Base-Base interactions energy: -69.181 where: short stacking energy: -37.750 Base-Backbone interact. energy: -0.699 local terms energy: -56.728086 where: bonds (distance) C4'-P energy: -12.641 bonds (distance) P-C4' energy: -10.411 flat angles C4'-P-C4' energy: -13.607 flat angles P-C4'-P energy: -6.761 tors. eta vs tors. theta energy: -13.308 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: 7, replica: 3 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -103.074811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.074811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.074811 (E_RNA) where: Base-Base interactions energy: -45.653 where: short stacking energy: -45.653 Base-Backbone interact. energy: -0.074 local terms energy: -57.348520 where: bonds (distance) C4'-P energy: -8.750 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -14.993 flat angles P-C4'-P energy: -10.048 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: 8, replica: 5 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -80.993177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.993177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.993177 (E_RNA) where: Base-Base interactions energy: -29.852 where: short stacking energy: -28.999 Base-Backbone interact. energy: -0.001 local terms energy: -51.140250 where: bonds (distance) C4'-P energy: -12.578 bonds (distance) P-C4' energy: -13.065 flat angles C4'-P-C4' energy: -12.068 flat angles P-C4'-P energy: -3.679 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: 9, replica: 9 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -82.024385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.024385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.024385 (E_RNA) where: Base-Base interactions energy: -35.307 where: short stacking energy: -33.818 Base-Backbone interact. energy: -0.042 local terms energy: -46.675366 where: bonds (distance) C4'-P energy: -8.364 bonds (distance) P-C4' energy: -6.254 flat angles C4'-P-C4' energy: -10.925 flat angles P-C4'-P energy: -10.785 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: 10, replica: 10 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -78.199254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.199254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.199254 (E_RNA) where: Base-Base interactions energy: -36.800 where: short stacking energy: -20.187 Base-Backbone interact. energy: -0.207 local terms energy: -41.191727 where: bonds (distance) C4'-P energy: -12.831 bonds (distance) P-C4' energy: -10.750 flat angles C4'-P-C4' energy: -11.525 flat angles P-C4'-P energy: -4.798 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: 4 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -159.430045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.430045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.430045 (E_RNA) where: Base-Base interactions energy: -96.163 where: short stacking energy: -60.394 Base-Backbone interact. energy: -0.002 local terms energy: -63.265762 where: bonds (distance) C4'-P energy: -14.520 bonds (distance) P-C4' energy: -14.719 flat angles C4'-P-C4' energy: -10.469 flat angles P-C4'-P energy: -11.943 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: 7 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -153.433739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.433739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.433739 (E_RNA) where: Base-Base interactions energy: -86.435 where: short stacking energy: -57.311 Base-Backbone interact. energy: -0.014 local terms energy: -66.985566 where: bonds (distance) C4'-P energy: -14.099 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -14.786 flat angles P-C4'-P energy: -9.210 tors. eta vs tors. theta energy: -13.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -143.119487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.119487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.119487 (E_RNA) where: Base-Base interactions energy: -78.435 where: short stacking energy: -48.603 Base-Backbone interact. energy: -0.688 local terms energy: -63.996431 where: bonds (distance) C4'-P energy: -14.636 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -14.443 flat angles P-C4'-P energy: -11.283 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: 4, replica: 1 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -128.053501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.053501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.053501 (E_RNA) where: Base-Base interactions energy: -74.241 where: short stacking energy: -45.540 Base-Backbone interact. energy: -0.012 local terms energy: -53.800800 where: bonds (distance) C4'-P energy: -9.689 bonds (distance) P-C4' energy: -12.050 flat angles C4'-P-C4' energy: -10.583 flat angles P-C4'-P energy: -9.930 tors. eta vs tors. theta energy: -11.548 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: 2 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -134.302170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.302170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.302170 (E_RNA) where: Base-Base interactions energy: -77.340 where: short stacking energy: -49.343 Base-Backbone interact. energy: -0.003 local terms energy: -56.960015 where: bonds (distance) C4'-P energy: -13.162 bonds (distance) P-C4' energy: -13.909 flat angles C4'-P-C4' energy: -11.624 flat angles P-C4'-P energy: -9.744 tors. eta vs tors. theta energy: -8.520 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: 6, replica: 3 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -102.293882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.293882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.293882 (E_RNA) where: Base-Base interactions energy: -53.493 where: short stacking energy: -53.493 Base-Backbone interact. energy: -0.012 local terms energy: -48.788775 where: bonds (distance) C4'-P energy: -7.507 bonds (distance) P-C4' energy: -9.920 flat angles C4'-P-C4' energy: -13.899 flat angles P-C4'-P energy: -4.996 tors. eta vs tors. theta energy: -12.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -130.168910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.168910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.168910 (E_RNA) where: Base-Base interactions energy: -84.571 where: short stacking energy: -49.734 Base-Backbone interact. energy: -0.081 local terms energy: -45.517097 where: bonds (distance) C4'-P energy: -10.650 bonds (distance) P-C4' energy: -11.510 flat angles C4'-P-C4' energy: -9.456 flat angles P-C4'-P energy: -3.246 tors. eta vs tors. theta energy: -10.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -87.494767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.494767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.494767 (E_RNA) where: Base-Base interactions energy: -43.717 where: short stacking energy: -43.717 Base-Backbone interact. energy: -0.001 local terms energy: -43.775861 where: bonds (distance) C4'-P energy: -12.381 bonds (distance) P-C4' energy: -12.532 flat angles C4'-P-C4' energy: -10.262 flat angles P-C4'-P energy: -2.512 tors. eta vs tors. theta energy: -6.090 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: 9 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -79.740836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.740836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.740836 (E_RNA) where: Base-Base interactions energy: -34.055 where: short stacking energy: -34.055 Base-Backbone interact. energy: -1.188 local terms energy: -44.497540 where: bonds (distance) C4'-P energy: -10.045 bonds (distance) P-C4' energy: -13.780 flat angles C4'-P-C4' energy: -11.364 flat angles P-C4'-P energy: -2.235 tors. eta vs tors. theta energy: -7.073 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: 10, replica: 10 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -72.612633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.612633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.612633 (E_RNA) where: Base-Base interactions energy: -37.908 where: short stacking energy: -36.870 Base-Backbone interact. energy: -0.024 local terms energy: -34.681311 where: bonds (distance) C4'-P energy: -6.265 bonds (distance) P-C4' energy: -7.841 flat angles C4'-P-C4' energy: -11.652 flat angles P-C4'-P energy: -5.280 tors. eta vs tors. theta energy: -3.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -165.558987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.558987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.558987 (E_RNA) where: Base-Base interactions energy: -102.326 where: short stacking energy: -61.161 Base-Backbone interact. energy: -0.002 local terms energy: -63.231324 where: bonds (distance) C4'-P energy: -13.225 bonds (distance) P-C4' energy: -11.499 flat angles C4'-P-C4' energy: -10.357 flat angles P-C4'-P energy: -12.121 tors. eta vs tors. theta energy: -16.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -159.873396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.873396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.873396 (E_RNA) where: Base-Base interactions energy: -104.586 where: short stacking energy: -62.827 Base-Backbone interact. energy: -0.001 local terms energy: -55.286028 where: bonds (distance) C4'-P energy: -14.424 bonds (distance) P-C4' energy: -10.181 flat angles C4'-P-C4' energy: -13.231 flat angles P-C4'-P energy: -3.631 tors. eta vs tors. theta energy: -13.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -144.384571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.384571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.384571 (E_RNA) where: Base-Base interactions energy: -86.237 where: short stacking energy: -51.468 Base-Backbone interact. energy: -1.026 local terms energy: -57.121369 where: bonds (distance) C4'-P energy: -10.766 bonds (distance) P-C4' energy: -12.433 flat angles C4'-P-C4' energy: -10.052 flat angles P-C4'-P energy: -7.882 tors. eta vs tors. theta energy: -15.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -138.234011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.234011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.234011 (E_RNA) where: Base-Base interactions energy: -79.730 where: short stacking energy: -52.896 Base-Backbone interact. energy: -0.816 local terms energy: -57.688096 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -12.673 flat angles C4'-P-C4' energy: -9.934 flat angles P-C4'-P energy: -11.023 tors. eta vs tors. theta energy: -10.532 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: 2 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -157.363780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.363780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.363780 (E_RNA) where: Base-Base interactions energy: -97.822 where: short stacking energy: -62.548 Base-Backbone interact. energy: -0.003 local terms energy: -59.539586 where: bonds (distance) C4'-P energy: -11.868 bonds (distance) P-C4' energy: -11.109 flat angles C4'-P-C4' energy: -12.359 flat angles P-C4'-P energy: -9.623 tors. eta vs tors. theta energy: -14.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -89.198162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.198162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.198162 (E_RNA) where: Base-Base interactions energy: -37.149 where: short stacking energy: -30.308 Base-Backbone interact. energy: 0.114 local terms energy: -52.163268 where: bonds (distance) C4'-P energy: -11.643 bonds (distance) P-C4' energy: -14.188 flat angles C4'-P-C4' energy: -11.539 flat angles P-C4'-P energy: -10.708 tors. eta vs tors. theta energy: -4.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -113.152731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.152731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.152731 (E_RNA) where: Base-Base interactions energy: -73.436 where: short stacking energy: -41.514 Base-Backbone interact. energy: -0.008 local terms energy: -39.707996 where: bonds (distance) C4'-P energy: -9.859 bonds (distance) P-C4' energy: -10.507 flat angles C4'-P-C4' energy: -3.724 flat angles P-C4'-P energy: -6.951 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: 5 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -82.912439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.912439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.912439 (E_RNA) where: Base-Base interactions energy: -35.843 where: short stacking energy: -33.011 Base-Backbone interact. energy: 0.574 local terms energy: -47.644085 where: bonds (distance) C4'-P energy: -11.788 bonds (distance) P-C4' energy: -13.576 flat angles C4'-P-C4' energy: -12.875 flat angles P-C4'-P energy: -8.240 tors. eta vs tors. theta energy: -1.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -69.006522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.006522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.006522 (E_RNA) where: Base-Base interactions energy: -26.651 where: short stacking energy: -26.651 Base-Backbone interact. energy: -0.032 local terms energy: -42.323996 where: bonds (distance) C4'-P energy: -8.295 bonds (distance) P-C4' energy: -11.867 flat angles C4'-P-C4' energy: -12.194 flat angles P-C4'-P energy: -3.598 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: 10, replica: 9 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -75.490681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.490681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.490681 (E_RNA) where: Base-Base interactions energy: -32.608 where: short stacking energy: -32.608 Base-Backbone interact. energy: -0.017 local terms energy: -42.865418 where: bonds (distance) C4'-P energy: -9.631 bonds (distance) P-C4' energy: -11.649 flat angles C4'-P-C4' energy: -12.934 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: -5.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -166.441155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.441155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.441155 (E_RNA) where: Base-Base interactions energy: -103.087 where: short stacking energy: -70.771 Base-Backbone interact. energy: -0.002 local terms energy: -63.352504 where: bonds (distance) C4'-P energy: -10.935 bonds (distance) P-C4' energy: -13.944 flat angles C4'-P-C4' energy: -12.703 flat angles P-C4'-P energy: -6.395 tors. eta vs tors. theta energy: -19.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -143.242876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.242876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.242876 (E_RNA) where: Base-Base interactions energy: -84.271 where: short stacking energy: -54.876 Base-Backbone interact. energy: -0.639 local terms energy: -58.332163 where: bonds (distance) C4'-P energy: -13.721 bonds (distance) P-C4' energy: -14.563 flat angles C4'-P-C4' energy: -11.045 flat angles P-C4'-P energy: -6.250 tors. eta vs tors. theta energy: -12.752 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: 3, replica: 4 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -145.814557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.814557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.814557 (E_RNA) where: Base-Base interactions energy: -84.749 where: short stacking energy: -50.124 Base-Backbone interact. energy: -0.001 local terms energy: -61.064614 where: bonds (distance) C4'-P energy: -10.230 bonds (distance) P-C4' energy: -13.899 flat angles C4'-P-C4' energy: -13.298 flat angles P-C4'-P energy: -8.016 tors. eta vs tors. theta energy: -15.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -151.810520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.810520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.810520 (E_RNA) where: Base-Base interactions energy: -91.704 where: short stacking energy: -57.934 Base-Backbone interact. energy: -0.012 local terms energy: -60.094210 where: bonds (distance) C4'-P energy: -11.362 bonds (distance) P-C4' energy: -11.454 flat angles C4'-P-C4' energy: -11.993 flat angles P-C4'-P energy: -9.138 tors. eta vs tors. theta energy: -16.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -125.105755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.105755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.105755 (E_RNA) where: Base-Base interactions energy: -75.517 where: short stacking energy: -43.995 Base-Backbone interact. energy: -0.096 local terms energy: -49.491985 where: bonds (distance) C4'-P energy: -10.360 bonds (distance) P-C4' energy: -7.278 flat angles C4'-P-C4' energy: -13.948 flat angles P-C4'-P energy: -10.383 tors. eta vs tors. theta energy: -7.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -117.860987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.860987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.860987 (E_RNA) where: Base-Base interactions energy: -67.417 where: short stacking energy: -43.356 Base-Backbone interact. energy: -0.083 local terms energy: -50.360782 where: bonds (distance) C4'-P energy: -10.214 bonds (distance) P-C4' energy: -9.255 flat angles C4'-P-C4' energy: -10.933 flat angles P-C4'-P energy: -10.617 tors. eta vs tors. theta energy: -9.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -91.319807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.319807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.319807 (E_RNA) where: Base-Base interactions energy: -43.133 where: short stacking energy: -38.798 Base-Backbone interact. energy: -0.331 local terms energy: -47.856632 where: bonds (distance) C4'-P energy: -8.687 bonds (distance) P-C4' energy: -10.798 flat angles C4'-P-C4' energy: -10.587 flat angles P-C4'-P energy: -8.068 tors. eta vs tors. theta energy: -9.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -82.219583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.219583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.219583 (E_RNA) where: Base-Base interactions energy: -41.118 where: short stacking energy: -33.175 Base-Backbone interact. energy: -0.094 local terms energy: -41.007641 where: bonds (distance) C4'-P energy: -12.539 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -10.428 flat angles P-C4'-P energy: -7.170 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: 5 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -81.039592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.039592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.039592 (E_RNA) where: Base-Base interactions energy: -33.925 where: short stacking energy: -31.333 Base-Backbone interact. energy: -0.062 local terms energy: -47.052585 where: bonds (distance) C4'-P energy: -10.317 bonds (distance) P-C4' energy: -12.508 flat angles C4'-P-C4' energy: -10.152 flat angles P-C4'-P energy: -8.824 tors. eta vs tors. theta energy: -5.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -67.582742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.582742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.582742 (E_RNA) where: Base-Base interactions energy: -29.475 where: short stacking energy: -25.730 Base-Backbone interact. energy: -0.400 local terms energy: -37.708339 where: bonds (distance) C4'-P energy: -7.407 bonds (distance) P-C4' energy: -14.590 flat angles C4'-P-C4' energy: -8.516 flat angles P-C4'-P energy: -7.650 tors. eta vs tors. theta energy: 0.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -155.129479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.129479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.129479 (E_RNA) where: Base-Base interactions energy: -91.550 where: short stacking energy: -60.770 Base-Backbone interact. energy: -0.017 local terms energy: -63.562534 where: bonds (distance) C4'-P energy: -14.227 bonds (distance) P-C4' energy: -13.367 flat angles C4'-P-C4' energy: -13.797 flat angles P-C4'-P energy: -9.166 tors. eta vs tors. theta energy: -13.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -162.972682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.972682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.972682 (E_RNA) where: Base-Base interactions energy: -97.323 where: short stacking energy: -66.165 Base-Backbone interact. energy: -0.001 local terms energy: -65.648345 where: bonds (distance) C4'-P energy: -12.310 bonds (distance) P-C4' energy: -13.022 flat angles C4'-P-C4' energy: -12.989 flat angles P-C4'-P energy: -10.369 tors. eta vs tors. theta energy: -16.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -148.357740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.357740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.357740 (E_RNA) where: Base-Base interactions energy: -91.756 where: short stacking energy: -59.548 Base-Backbone interact. energy: -0.023 local terms energy: -56.578620 where: bonds (distance) C4'-P energy: -13.470 bonds (distance) P-C4' energy: -12.914 flat angles C4'-P-C4' energy: -11.416 flat angles P-C4'-P energy: -7.134 tors. eta vs tors. theta energy: -11.645 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: 426 Temperature: 1.050000 Total energy: -147.058437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.058437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.058437 (E_RNA) where: Base-Base interactions energy: -88.418 where: short stacking energy: -55.424 Base-Backbone interact. energy: -0.014 local terms energy: -58.626464 where: bonds (distance) C4'-P energy: -9.740 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -11.415 flat angles P-C4'-P energy: -9.205 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: 5, replica: 6 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -136.371734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.371734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.371734 (E_RNA) where: Base-Base interactions energy: -81.989 where: short stacking energy: -52.368 Base-Backbone interact. energy: -0.143 local terms energy: -54.238905 where: bonds (distance) C4'-P energy: -13.846 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -11.549 flat angles P-C4'-P energy: -5.992 tors. eta vs tors. theta energy: -8.479 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: 1 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -133.954471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.954471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.954471 (E_RNA) where: Base-Base interactions energy: -83.504 where: short stacking energy: -54.056 Base-Backbone interact. energy: -0.551 local terms energy: -49.899836 where: bonds (distance) C4'-P energy: -12.495 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -11.708 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: -7.865 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: 3 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -91.038171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.038171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.038171 (E_RNA) where: Base-Base interactions energy: -42.284 where: short stacking energy: -42.284 Base-Backbone interact. energy: -0.140 local terms energy: -48.613655 where: bonds (distance) C4'-P energy: -10.612 bonds (distance) P-C4' energy: -12.394 flat angles C4'-P-C4' energy: -9.357 flat angles P-C4'-P energy: -7.428 tors. eta vs tors. theta energy: -8.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -81.666325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.666325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.666325 (E_RNA) where: Base-Base interactions energy: -33.133 where: short stacking energy: -32.400 Base-Backbone interact. energy: -0.109 local terms energy: -48.423672 where: bonds (distance) C4'-P energy: -12.712 bonds (distance) P-C4' energy: -10.008 flat angles C4'-P-C4' energy: -11.200 flat angles P-C4'-P energy: -6.103 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: 9, replica: 9 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -78.267865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.267865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.267865 (E_RNA) where: Base-Base interactions energy: -39.754 where: short stacking energy: -39.754 Base-Backbone interact. energy: 0.305 local terms energy: -38.819523 where: bonds (distance) C4'-P energy: -5.963 bonds (distance) P-C4' energy: -11.348 flat angles C4'-P-C4' energy: -9.763 flat angles P-C4'-P energy: -7.356 tors. eta vs tors. theta energy: -4.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -75.634521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.634521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.634521 (E_RNA) where: Base-Base interactions energy: -33.406 where: short stacking energy: -30.833 Base-Backbone interact. energy: -0.015 local terms energy: -42.212911 where: bonds (distance) C4'-P energy: -5.441 bonds (distance) P-C4' energy: -10.974 flat angles C4'-P-C4' energy: -12.979 flat angles P-C4'-P energy: -6.533 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: 1, replica: 8 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -150.348441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.348441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.348441 (E_RNA) where: Base-Base interactions energy: -87.200 where: short stacking energy: -59.580 Base-Backbone interact. energy: -0.003 local terms energy: -63.145951 where: bonds (distance) C4'-P energy: -12.161 bonds (distance) P-C4' energy: -14.467 flat angles C4'-P-C4' energy: -13.666 flat angles P-C4'-P energy: -9.756 tors. eta vs tors. theta energy: -13.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -164.826727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.826727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.826727 (E_RNA) where: Base-Base interactions energy: -100.239 where: short stacking energy: -66.864 Base-Backbone interact. energy: -0.005 local terms energy: -64.582187 where: bonds (distance) C4'-P energy: -13.153 bonds (distance) P-C4' energy: -11.630 flat angles C4'-P-C4' energy: -13.715 flat angles P-C4'-P energy: -10.620 tors. eta vs tors. theta energy: -15.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -138.722621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.722621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.722621 (E_RNA) where: Base-Base interactions energy: -79.716 where: short stacking energy: -44.623 Base-Backbone interact. energy: -0.472 local terms energy: -58.534579 where: bonds (distance) C4'-P energy: -10.782 bonds (distance) P-C4' energy: -14.487 flat angles C4'-P-C4' energy: -14.815 flat angles P-C4'-P energy: -11.168 tors. eta vs tors. theta energy: -7.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -145.974383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.974383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.974383 (E_RNA) where: Base-Base interactions energy: -78.354 where: short stacking energy: -44.782 Base-Backbone interact. energy: -0.205 local terms energy: -67.415569 where: bonds (distance) C4'-P energy: -14.947 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -13.681 flat angles P-C4'-P energy: -7.105 tors. eta vs tors. theta energy: -16.561 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: 6 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -131.118358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.118358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.118358 (E_RNA) where: Base-Base interactions energy: -77.309 where: short stacking energy: -53.425 Base-Backbone interact. energy: -0.005 local terms energy: -53.804113 where: bonds (distance) C4'-P energy: -14.337 bonds (distance) P-C4' energy: -11.345 flat angles C4'-P-C4' energy: -11.277 flat angles P-C4'-P energy: -7.170 tors. eta vs tors. theta energy: -9.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -127.730686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.730686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.730686 (E_RNA) where: Base-Base interactions energy: -75.230 where: short stacking energy: -44.949 Base-Backbone interact. energy: -0.048 local terms energy: -52.451932 where: bonds (distance) C4'-P energy: -12.400 bonds (distance) P-C4' energy: -12.783 flat angles C4'-P-C4' energy: -10.925 flat angles P-C4'-P energy: -7.493 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: 3 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -92.397805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.397805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.397805 (E_RNA) where: Base-Base interactions energy: -43.210 where: short stacking energy: -43.210 Base-Backbone interact. energy: 0.788 local terms energy: -49.975718 where: bonds (distance) C4'-P energy: -11.255 bonds (distance) P-C4' energy: -11.068 flat angles C4'-P-C4' energy: -11.475 flat angles P-C4'-P energy: -7.674 tors. eta vs tors. theta energy: -8.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -83.334480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.334480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.334480 (E_RNA) where: Base-Base interactions energy: -36.665 where: short stacking energy: -34.749 Base-Backbone interact. energy: -0.171 local terms energy: -46.498391 where: bonds (distance) C4'-P energy: -10.298 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -9.569 flat angles P-C4'-P energy: -6.270 tors. eta vs tors. theta energy: -6.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -76.776480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.776480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.776480 (E_RNA) where: Base-Base interactions energy: -33.279 where: short stacking energy: -29.549 Base-Backbone interact. energy: 0.466 local terms energy: -43.963174 where: bonds (distance) C4'-P energy: -7.251 bonds (distance) P-C4' energy: -13.166 flat angles C4'-P-C4' energy: -10.313 flat angles P-C4'-P energy: -7.902 tors. eta vs tors. theta energy: -5.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -74.042681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.042681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.042681 (E_RNA) where: Base-Base interactions energy: -26.641 where: short stacking energy: -26.641 Base-Backbone interact. energy: -0.097 local terms energy: -47.304809 where: bonds (distance) C4'-P energy: -10.827 bonds (distance) P-C4' energy: -14.444 flat angles C4'-P-C4' energy: -13.869 flat angles P-C4'-P energy: -6.470 tors. eta vs tors. theta energy: -1.694 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: 7 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -167.365975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.365975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.365975 (E_RNA) where: Base-Base interactions energy: -101.978 where: short stacking energy: -61.490 Base-Backbone interact. energy: -0.002 local terms energy: -65.385904 where: bonds (distance) C4'-P energy: -11.805 bonds (distance) P-C4' energy: -13.678 flat angles C4'-P-C4' energy: -12.559 flat angles P-C4'-P energy: -10.462 tors. eta vs tors. theta energy: -16.882 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: 2, replica: 8 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -154.125643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.125643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.125643 (E_RNA) where: Base-Base interactions energy: -92.251 where: short stacking energy: -60.774 Base-Backbone interact. energy: -0.006 local terms energy: -61.868708 where: bonds (distance) C4'-P energy: -11.485 bonds (distance) P-C4' energy: -13.398 flat angles C4'-P-C4' energy: -11.447 flat angles P-C4'-P energy: -11.580 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: 3, replica: 4 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -158.821786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.821786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.821786 (E_RNA) where: Base-Base interactions energy: -95.338 where: short stacking energy: -61.273 Base-Backbone interact. energy: 0.006 local terms energy: -63.490173 where: bonds (distance) C4'-P energy: -10.837 bonds (distance) P-C4' energy: -11.239 flat angles C4'-P-C4' energy: -15.160 flat angles P-C4'-P energy: -10.513 tors. eta vs tors. theta energy: -15.741 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: 428 Temperature: 1.050000 Total energy: -136.218367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.218367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.218367 (E_RNA) where: Base-Base interactions energy: -86.857 where: short stacking energy: -52.323 Base-Backbone interact. energy: -0.832 local terms energy: -48.529951 where: bonds (distance) C4'-P energy: -13.667 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.323 flat angles P-C4'-P energy: -7.073 tors. eta vs tors. theta energy: -10.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -133.319230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.319230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.319230 (E_RNA) where: Base-Base interactions energy: -78.015 where: short stacking energy: -44.107 Base-Backbone interact. energy: -0.316 local terms energy: -54.988270 where: bonds (distance) C4'-P energy: -10.914 bonds (distance) P-C4' energy: -11.178 flat angles C4'-P-C4' energy: -12.708 flat angles P-C4'-P energy: -10.345 tors. eta vs tors. theta energy: -9.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -113.855119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.855119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.855119 (E_RNA) where: Base-Base interactions energy: -58.830 where: short stacking energy: -30.922 Base-Backbone interact. energy: -0.214 local terms energy: -54.810620 where: bonds (distance) C4'-P energy: -11.962 bonds (distance) P-C4' energy: -11.721 flat angles C4'-P-C4' energy: -15.103 flat angles P-C4'-P energy: -8.905 tors. eta vs tors. theta energy: -7.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -104.693361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.693361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.693361 (E_RNA) where: Base-Base interactions energy: -44.463 where: short stacking energy: -44.463 Base-Backbone interact. energy: -0.303 local terms energy: -59.927297 where: bonds (distance) C4'-P energy: -12.089 bonds (distance) P-C4' energy: -15.445 flat angles C4'-P-C4' energy: -13.273 flat angles P-C4'-P energy: -5.883 tors. eta vs tors. theta energy: -13.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -84.043262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.043262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.043262 (E_RNA) where: Base-Base interactions energy: -35.331 where: short stacking energy: -30.205 Base-Backbone interact. energy: 1.133 local terms energy: -49.844349 where: bonds (distance) C4'-P energy: -10.789 bonds (distance) P-C4' energy: -11.917 flat angles C4'-P-C4' energy: -14.999 flat angles P-C4'-P energy: -11.083 tors. eta vs tors. theta energy: -1.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -85.181324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.181324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.181324 (E_RNA) where: Base-Base interactions energy: -32.241 where: short stacking energy: -31.643 Base-Backbone interact. energy: 1.106 local terms energy: -54.046356 where: bonds (distance) C4'-P energy: -14.298 bonds (distance) P-C4' energy: -13.086 flat angles C4'-P-C4' energy: -11.040 flat angles P-C4'-P energy: -8.388 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: 10, replica: 10 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -80.563744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.563744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.563744 (E_RNA) where: Base-Base interactions energy: -35.581 where: short stacking energy: -30.433 Base-Backbone interact. energy: -0.026 local terms energy: -44.957505 where: bonds (distance) C4'-P energy: -9.999 bonds (distance) P-C4' energy: -11.856 flat angles C4'-P-C4' energy: -11.188 flat angles P-C4'-P energy: -10.369 tors. eta vs tors. theta energy: -1.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -168.710413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.710413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.710413 (E_RNA) where: Base-Base interactions energy: -105.407 where: short stacking energy: -60.876 Base-Backbone interact. energy: -0.041 local terms energy: -63.262054 where: bonds (distance) C4'-P energy: -13.936 bonds (distance) P-C4' energy: -13.120 flat angles C4'-P-C4' energy: -12.224 flat angles P-C4'-P energy: -9.084 tors. eta vs tors. theta energy: -14.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -149.825492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.825492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.825492 (E_RNA) where: Base-Base interactions energy: -88.980 where: short stacking energy: -56.884 Base-Backbone interact. energy: -0.001 local terms energy: -60.845019 where: bonds (distance) C4'-P energy: -13.283 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -13.112 flat angles P-C4'-P energy: -6.320 tors. eta vs tors. theta energy: -14.346 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: 8 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -141.132851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.132851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.132851 (E_RNA) where: Base-Base interactions energy: -84.925 where: short stacking energy: -59.053 Base-Backbone interact. energy: -0.061 local terms energy: -56.146368 where: bonds (distance) C4'-P energy: -12.255 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -12.883 flat angles P-C4'-P energy: -6.083 tors. eta vs tors. theta energy: -10.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -147.605444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.605444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.605444 (E_RNA) where: Base-Base interactions energy: -85.998 where: short stacking energy: -54.880 Base-Backbone interact. energy: -0.067 local terms energy: -61.539962 where: bonds (distance) C4'-P energy: -14.060 bonds (distance) P-C4' energy: -9.419 flat angles C4'-P-C4' energy: -15.393 flat angles P-C4'-P energy: -11.159 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: 5, replica: 6 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -132.529879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.529879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.529879 (E_RNA) where: Base-Base interactions energy: -78.170 where: short stacking energy: -45.920 Base-Backbone interact. energy: -0.147 local terms energy: -54.213158 where: bonds (distance) C4'-P energy: -11.336 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -12.455 flat angles P-C4'-P energy: -5.797 tors. eta vs tors. theta energy: -9.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -93.647881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.647881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.647881 (E_RNA) where: Base-Base interactions energy: -44.003 where: short stacking energy: -36.295 Base-Backbone interact. energy: -0.159 local terms energy: -49.486206 where: bonds (distance) C4'-P energy: -11.263 bonds (distance) P-C4' energy: -10.446 flat angles C4'-P-C4' energy: -10.814 flat angles P-C4'-P energy: -7.605 tors. eta vs tors. theta energy: -9.358 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: 1 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -129.818509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.818509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.818509 (E_RNA) where: Base-Base interactions energy: -81.108 where: short stacking energy: -43.699 Base-Backbone interact. energy: 1.083 local terms energy: -49.792845 where: bonds (distance) C4'-P energy: -8.101 bonds (distance) P-C4' energy: -11.734 flat angles C4'-P-C4' energy: -12.776 flat angles P-C4'-P energy: -9.766 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: 8, replica: 3 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -92.366861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.366861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.366861 (E_RNA) where: Base-Base interactions energy: -47.553 where: short stacking energy: -46.275 Base-Backbone interact. energy: -0.249 local terms energy: -44.565135 where: bonds (distance) C4'-P energy: -9.230 bonds (distance) P-C4' energy: -8.535 flat angles C4'-P-C4' energy: -10.452 flat angles P-C4'-P energy: -8.821 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: 9, replica: 5 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -85.299127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.299127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.299127 (E_RNA) where: Base-Base interactions energy: -40.327 where: short stacking energy: -37.604 Base-Backbone interact. energy: -0.117 local terms energy: -44.855351 where: bonds (distance) C4'-P energy: -10.410 bonds (distance) P-C4' energy: -12.574 flat angles C4'-P-C4' energy: -8.564 flat angles P-C4'-P energy: -6.120 tors. eta vs tors. theta energy: -7.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -69.435391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.435391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.435391 (E_RNA) where: Base-Base interactions energy: -24.442 where: short stacking energy: -24.442 Base-Backbone interact. energy: -0.463 local terms energy: -44.529828 where: bonds (distance) C4'-P energy: -14.023 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -7.204 flat angles P-C4'-P energy: -9.704 tors. eta vs tors. theta energy: -0.497 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: 430 Temperature: 0.900000 Total energy: -169.053993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.053993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.053993 (E_RNA) where: Base-Base interactions energy: -103.116 where: short stacking energy: -65.063 Base-Backbone interact. energy: -0.011 local terms energy: -65.927191 where: bonds (distance) C4'-P energy: -12.640 bonds (distance) P-C4' energy: -12.221 flat angles C4'-P-C4' energy: -14.814 flat angles P-C4'-P energy: -11.549 tors. eta vs tors. theta energy: -14.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -159.143723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.143723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.143723 (E_RNA) where: Base-Base interactions energy: -96.116 where: short stacking energy: -64.218 Base-Backbone interact. energy: -0.001 local terms energy: -63.026345 where: bonds (distance) C4'-P energy: -14.218 bonds (distance) P-C4' energy: -9.146 flat angles C4'-P-C4' energy: -13.450 flat angles P-C4'-P energy: -9.815 tors. eta vs tors. theta energy: -16.397 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: 2 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -140.139093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.139093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.139093 (E_RNA) where: Base-Base interactions energy: -87.874 where: short stacking energy: -51.027 Base-Backbone interact. energy: -0.320 local terms energy: -51.944205 where: bonds (distance) C4'-P energy: -12.364 bonds (distance) P-C4' energy: -12.361 flat angles C4'-P-C4' energy: -10.496 flat angles P-C4'-P energy: -7.589 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: 4, replica: 8 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -143.037407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.037407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.037407 (E_RNA) where: Base-Base interactions energy: -89.264 where: short stacking energy: -50.717 Base-Backbone interact. energy: -0.019 local terms energy: -53.753848 where: bonds (distance) C4'-P energy: -9.217 bonds (distance) P-C4' energy: -14.510 flat angles C4'-P-C4' energy: -13.610 flat angles P-C4'-P energy: -7.606 tors. eta vs tors. theta energy: -8.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -111.024149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.024149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.024149 (E_RNA) where: Base-Base interactions energy: -53.422 where: short stacking energy: -48.840 Base-Backbone interact. energy: -0.001 local terms energy: -57.600925 where: bonds (distance) C4'-P energy: -11.407 bonds (distance) P-C4' energy: -11.906 flat angles C4'-P-C4' energy: -13.224 flat angles P-C4'-P energy: -9.046 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: 6, replica: 6 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -134.028065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.028065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.028065 (E_RNA) where: Base-Base interactions energy: -80.405 where: short stacking energy: -39.288 Base-Backbone interact. energy: -0.069 local terms energy: -53.553307 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -14.747 flat angles C4'-P-C4' energy: -9.690 flat angles P-C4'-P energy: -7.945 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: 1 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -113.856261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.856261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.856261 (E_RNA) where: Base-Base interactions energy: -66.299 where: short stacking energy: -39.616 Base-Backbone interact. energy: -0.076 local terms energy: -47.481869 where: bonds (distance) C4'-P energy: -11.986 bonds (distance) P-C4' energy: -13.808 flat angles C4'-P-C4' energy: -10.248 flat angles P-C4'-P energy: -9.239 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: 8, replica: 3 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -98.166768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.166768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.166768 (E_RNA) where: Base-Base interactions energy: -54.710 where: short stacking energy: -29.688 Base-Backbone interact. energy: -0.335 local terms energy: -43.122406 where: bonds (distance) C4'-P energy: -3.115 bonds (distance) P-C4' energy: -16.006 flat angles C4'-P-C4' energy: -11.008 flat angles P-C4'-P energy: -6.998 tors. eta vs tors. theta energy: -5.995 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: 9, replica: 10 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -79.524673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.524673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.524673 (E_RNA) where: Base-Base interactions energy: -30.035 where: short stacking energy: -30.235 Base-Backbone interact. energy: 0.251 local terms energy: -49.739892 where: bonds (distance) C4'-P energy: -12.582 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -11.550 flat angles P-C4'-P energy: -6.925 tors. eta vs tors. theta energy: -3.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -78.647721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.647721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.647721 (E_RNA) where: Base-Base interactions energy: -37.734 where: short stacking energy: -35.129 Base-Backbone interact. energy: -0.370 local terms energy: -40.543762 where: bonds (distance) C4'-P energy: -11.172 bonds (distance) P-C4' energy: -12.271 flat angles C4'-P-C4' energy: -4.722 flat angles P-C4'-P energy: -8.413 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: 4 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -161.157147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.157147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.157147 (E_RNA) where: Base-Base interactions energy: -106.993 where: short stacking energy: -64.256 Base-Backbone interact. energy: -0.100 local terms energy: -54.064636 where: bonds (distance) C4'-P energy: -10.787 bonds (distance) P-C4' energy: -11.651 flat angles C4'-P-C4' energy: -11.216 flat angles P-C4'-P energy: -8.318 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: 7 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -156.805069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.805069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.805069 (E_RNA) where: Base-Base interactions energy: -94.507 where: short stacking energy: -56.763 Base-Backbone interact. energy: -0.002 local terms energy: -62.295989 where: bonds (distance) C4'-P energy: -12.474 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -11.696 flat angles P-C4'-P energy: -8.558 tors. eta vs tors. theta energy: -15.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -152.184668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.184668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.184668 (E_RNA) where: Base-Base interactions energy: -92.228 where: short stacking energy: -55.841 Base-Backbone interact. energy: -0.040 local terms energy: -59.916798 where: bonds (distance) C4'-P energy: -14.681 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -15.249 flat angles P-C4'-P energy: -8.141 tors. eta vs tors. theta energy: -8.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -136.645129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.645129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.645129 (E_RNA) where: Base-Base interactions energy: -83.318 where: short stacking energy: -46.508 Base-Backbone interact. energy: -0.289 local terms energy: -53.037325 where: bonds (distance) C4'-P energy: -8.208 bonds (distance) P-C4' energy: -11.858 flat angles C4'-P-C4' energy: -14.480 flat angles P-C4'-P energy: -9.800 tors. eta vs tors. theta energy: -8.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -100.357391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.357391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.357391 (E_RNA) where: Base-Base interactions energy: -48.808 where: short stacking energy: -48.808 Base-Backbone interact. energy: -0.093 local terms energy: -51.456648 where: bonds (distance) C4'-P energy: -12.219 bonds (distance) P-C4' energy: -12.573 flat angles C4'-P-C4' energy: -8.783 flat angles P-C4'-P energy: -8.608 tors. eta vs tors. theta energy: -9.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -122.843519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.843519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.843519 (E_RNA) where: Base-Base interactions energy: -73.632 where: short stacking energy: -45.717 Base-Backbone interact. energy: 1.284 local terms energy: -50.494881 where: bonds (distance) C4'-P energy: -9.307 bonds (distance) P-C4' energy: -12.867 flat angles C4'-P-C4' energy: -12.204 flat angles P-C4'-P energy: -9.713 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: 7, replica: 1 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -88.366358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.366358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.366358 (E_RNA) where: Base-Base interactions energy: -40.725 where: short stacking energy: -40.725 Base-Backbone interact. energy: -0.311 local terms energy: -47.330998 where: bonds (distance) C4'-P energy: -10.746 bonds (distance) P-C4' energy: -12.750 flat angles C4'-P-C4' energy: -8.956 flat angles P-C4'-P energy: -9.475 tors. eta vs tors. theta energy: -5.404 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: 8, replica: 3 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -85.113102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.113102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.113102 (E_RNA) where: Base-Base interactions energy: -43.247 where: short stacking energy: -38.958 Base-Backbone interact. energy: 0.194 local terms energy: -42.060471 where: bonds (distance) C4'-P energy: -10.178 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -11.262 flat angles P-C4'-P energy: -4.986 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: 9, replica: 10 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -69.459861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.459861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.459861 (E_RNA) where: Base-Base interactions energy: -25.996 where: short stacking energy: -24.700 Base-Backbone interact. energy: -0.114 local terms energy: -43.350296 where: bonds (distance) C4'-P energy: -14.484 bonds (distance) P-C4' energy: -10.982 flat angles C4'-P-C4' energy: -10.658 flat angles P-C4'-P energy: -8.659 tors. eta vs tors. theta energy: 1.433 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: 5 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -71.621371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.621371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.621371 (E_RNA) where: Base-Base interactions energy: -37.913 where: short stacking energy: -26.295 Base-Backbone interact. energy: 1.416 local terms energy: -35.124465 where: bonds (distance) C4'-P energy: -13.435 bonds (distance) P-C4' energy: -10.679 flat angles C4'-P-C4' energy: -7.710 flat angles P-C4'-P energy: -5.324 tors. eta vs tors. theta energy: 2.024 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: 1, replica: 4 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -153.724845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.724845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.724845 (E_RNA) where: Base-Base interactions energy: -93.213 where: short stacking energy: -56.787 Base-Backbone interact. energy: -0.257 local terms energy: -60.255446 where: bonds (distance) C4'-P energy: -13.825 bonds (distance) P-C4' energy: -12.052 flat angles C4'-P-C4' energy: -14.117 flat angles P-C4'-P energy: -9.777 tors. eta vs tors. theta energy: -10.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -139.460307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.460307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.460307 (E_RNA) where: Base-Base interactions energy: -89.706 where: short stacking energy: -49.908 Base-Backbone interact. energy: -0.210 local terms energy: -49.543951 where: bonds (distance) C4'-P energy: -14.314 bonds (distance) P-C4' energy: -11.465 flat angles C4'-P-C4' energy: -7.470 flat angles P-C4'-P energy: -6.007 tors. eta vs tors. theta energy: -10.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -152.527354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.527354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.527354 (E_RNA) where: Base-Base interactions energy: -89.150 where: short stacking energy: -57.818 Base-Backbone interact. energy: -0.001 local terms energy: -63.376423 where: bonds (distance) C4'-P energy: -10.836 bonds (distance) P-C4' energy: -15.062 flat angles C4'-P-C4' energy: -13.788 flat angles P-C4'-P energy: -10.157 tors. eta vs tors. theta energy: -13.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -145.357295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.357295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.357295 (E_RNA) where: Base-Base interactions energy: -84.109 where: short stacking energy: -52.316 Base-Backbone interact. energy: -0.045 local terms energy: -61.203684 where: bonds (distance) C4'-P energy: -13.610 bonds (distance) P-C4' energy: -13.449 flat angles C4'-P-C4' energy: -12.939 flat angles P-C4'-P energy: -7.857 tors. eta vs tors. theta energy: -13.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -124.255620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.255620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.255620 (E_RNA) where: Base-Base interactions energy: -73.281 where: short stacking energy: -44.734 Base-Backbone interact. energy: -0.025 local terms energy: -50.949450 where: bonds (distance) C4'-P energy: -11.408 bonds (distance) P-C4' energy: -13.052 flat angles C4'-P-C4' energy: -12.370 flat angles P-C4'-P energy: -8.721 tors. eta vs tors. theta energy: -5.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -97.580541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.580541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.580541 (E_RNA) where: Base-Base interactions energy: -55.805 where: short stacking energy: -38.794 Base-Backbone interact. energy: -0.170 local terms energy: -41.605426 where: bonds (distance) C4'-P energy: -6.473 bonds (distance) P-C4' energy: -13.021 flat angles C4'-P-C4' energy: -11.271 flat angles P-C4'-P energy: -8.996 tors. eta vs tors. theta energy: -1.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -96.439390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.439390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.439390 (E_RNA) where: Base-Base interactions energy: -43.472 where: short stacking energy: -42.193 Base-Backbone interact. energy: -0.040 local terms energy: -52.928047 where: bonds (distance) C4'-P energy: -13.978 bonds (distance) P-C4' energy: -13.163 flat angles C4'-P-C4' energy: -11.614 flat angles P-C4'-P energy: -6.384 tors. eta vs tors. theta energy: -7.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -93.282279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.282279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.282279 (E_RNA) where: Base-Base interactions energy: -42.135 where: short stacking energy: -40.178 Base-Backbone interact. energy: -0.006 local terms energy: -51.141651 where: bonds (distance) C4'-P energy: -10.098 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -10.913 flat angles P-C4'-P energy: -6.964 tors. eta vs tors. theta energy: -8.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -83.851754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.851754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.851754 (E_RNA) where: Base-Base interactions energy: -33.881 where: short stacking energy: -33.881 Base-Backbone interact. energy: -0.120 local terms energy: -49.851145 where: bonds (distance) C4'-P energy: -13.092 bonds (distance) P-C4' energy: -15.488 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -10.106 tors. eta vs tors. theta energy: -4.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -70.119119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.119119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.119119 (E_RNA) where: Base-Base interactions energy: -33.539 where: short stacking energy: -20.336 Base-Backbone interact. energy: -0.221 local terms energy: -36.358772 where: bonds (distance) C4'-P energy: -8.547 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -11.822 flat angles P-C4'-P energy: -2.341 tors. eta vs tors. theta energy: 2.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -162.785593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.785593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.785593 (E_RNA) where: Base-Base interactions energy: -103.120 where: short stacking energy: -61.476 Base-Backbone interact. energy: -0.002 local terms energy: -59.664012 where: bonds (distance) C4'-P energy: -13.952 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -12.204 flat angles P-C4'-P energy: -7.510 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: 8 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -164.078175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.078175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.078175 (E_RNA) where: Base-Base interactions energy: -96.828 where: short stacking energy: -65.942 Base-Backbone interact. energy: -0.001 local terms energy: -67.249146 where: bonds (distance) C4'-P energy: -8.411 bonds (distance) P-C4' energy: -15.112 flat angles C4'-P-C4' energy: -14.075 flat angles P-C4'-P energy: -12.122 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: 3, replica: 7 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -154.622763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.622763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.622763 (E_RNA) where: Base-Base interactions energy: -95.380 where: short stacking energy: -57.155 Base-Backbone interact. energy: -0.071 local terms energy: -59.171998 where: bonds (distance) C4'-P energy: -9.532 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -13.372 flat angles P-C4'-P energy: -10.869 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: 4, replica: 6 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -138.241013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.241013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.241013 (E_RNA) where: Base-Base interactions energy: -76.535 where: short stacking energy: -43.500 Base-Backbone interact. energy: -0.496 local terms energy: -61.209957 where: bonds (distance) C4'-P energy: -15.083 bonds (distance) P-C4' energy: -15.489 flat angles C4'-P-C4' energy: -12.947 flat angles P-C4'-P energy: -6.623 tors. eta vs tors. theta energy: -11.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -142.288076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.288076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.288076 (E_RNA) where: Base-Base interactions energy: -88.153 where: short stacking energy: -48.923 Base-Backbone interact. energy: -0.051 local terms energy: -54.083715 where: bonds (distance) C4'-P energy: -10.012 bonds (distance) P-C4' energy: -12.551 flat angles C4'-P-C4' energy: -12.106 flat angles P-C4'-P energy: -11.211 tors. eta vs tors. theta energy: -8.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -89.807500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.807500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.807500 (E_RNA) where: Base-Base interactions energy: -32.650 where: short stacking energy: -31.354 Base-Backbone interact. energy: -0.019 local terms energy: -57.138745 where: bonds (distance) C4'-P energy: -13.341 bonds (distance) P-C4' energy: -14.371 flat angles C4'-P-C4' energy: -12.667 flat angles P-C4'-P energy: -7.590 tors. eta vs tors. theta energy: -9.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -94.990074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.990074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.990074 (E_RNA) where: Base-Base interactions energy: -39.579 where: short stacking energy: -39.579 Base-Backbone interact. energy: -0.022 local terms energy: -55.388731 where: bonds (distance) C4'-P energy: -13.108 bonds (distance) P-C4' energy: -16.021 flat angles C4'-P-C4' energy: -12.084 flat angles P-C4'-P energy: -6.725 tors. eta vs tors. theta energy: -7.450 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: 8, replica: 5 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -80.244642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.244642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.244642 (E_RNA) where: Base-Base interactions energy: -39.198 where: short stacking energy: -31.819 Base-Backbone interact. energy: 0.157 local terms energy: -41.204388 where: bonds (distance) C4'-P energy: -14.024 bonds (distance) P-C4' energy: -6.877 flat angles C4'-P-C4' energy: -10.925 flat angles P-C4'-P energy: -5.048 tors. eta vs tors. theta energy: -4.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -77.451321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.451321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.451321 (E_RNA) where: Base-Base interactions energy: -29.137 where: short stacking energy: -29.137 Base-Backbone interact. energy: -0.099 local terms energy: -48.215162 where: bonds (distance) C4'-P energy: -12.571 bonds (distance) P-C4' energy: -12.624 flat angles C4'-P-C4' energy: -9.994 flat angles P-C4'-P energy: -6.067 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: 10, replica: 10 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -84.181314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.181314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.181314 (E_RNA) where: Base-Base interactions energy: -37.841 where: short stacking energy: -32.494 Base-Backbone interact. energy: -0.001 local terms energy: -46.339169 where: bonds (distance) C4'-P energy: -13.258 bonds (distance) P-C4' energy: -12.838 flat angles C4'-P-C4' energy: -7.261 flat angles P-C4'-P energy: -5.488 tors. eta vs tors. theta energy: -7.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -160.238602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.238602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.238602 (E_RNA) where: Base-Base interactions energy: -102.412 where: short stacking energy: -62.602 Base-Backbone interact. energy: -0.017 local terms energy: -57.810456 where: bonds (distance) C4'-P energy: -12.203 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -12.491 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: -13.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -154.468326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.468326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.468326 (E_RNA) where: Base-Base interactions energy: -89.558 where: short stacking energy: -54.554 Base-Backbone interact. energy: -0.382 local terms energy: -64.527866 where: bonds (distance) C4'-P energy: -11.942 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -13.239 flat angles P-C4'-P energy: -10.815 tors. eta vs tors. theta energy: -13.502 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: 6 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -141.648443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.648443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.648443 (E_RNA) where: Base-Base interactions energy: -84.108 where: short stacking energy: -51.659 Base-Backbone interact. energy: -0.103 local terms energy: -57.437384 where: bonds (distance) C4'-P energy: -11.295 bonds (distance) P-C4' energy: -12.523 flat angles C4'-P-C4' energy: -12.563 flat angles P-C4'-P energy: -8.311 tors. eta vs tors. theta energy: -12.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -145.528331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.528331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.528331 (E_RNA) where: Base-Base interactions energy: -89.866 where: short stacking energy: -55.016 Base-Backbone interact. energy: -0.028 local terms energy: -55.634618 where: bonds (distance) C4'-P energy: -13.263 bonds (distance) P-C4' energy: -15.355 flat angles C4'-P-C4' energy: -10.334 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -12.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -143.855463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.855463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.855463 (E_RNA) where: Base-Base interactions energy: -81.794 where: short stacking energy: -60.168 Base-Backbone interact. energy: -0.012 local terms energy: -62.049673 where: bonds (distance) C4'-P energy: -14.673 bonds (distance) P-C4' energy: -11.540 flat angles C4'-P-C4' energy: -14.414 flat angles P-C4'-P energy: -6.448 tors. eta vs tors. theta energy: -14.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -93.160412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.160412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.160412 (E_RNA) where: Base-Base interactions energy: -45.225 where: short stacking energy: -41.024 Base-Backbone interact. energy: -0.241 local terms energy: -47.694040 where: bonds (distance) C4'-P energy: -8.462 bonds (distance) P-C4' energy: -15.087 flat angles C4'-P-C4' energy: -13.789 flat angles P-C4'-P energy: -8.232 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: 7, replica: 5 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -98.070345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.070345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.070345 (E_RNA) where: Base-Base interactions energy: -44.997 where: short stacking energy: -27.042 Base-Backbone interact. energy: -1.161 local terms energy: -51.913147 where: bonds (distance) C4'-P energy: -14.396 bonds (distance) P-C4' energy: -15.129 flat angles C4'-P-C4' energy: -10.103 flat angles P-C4'-P energy: -8.668 tors. eta vs tors. theta energy: -3.618 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: 9 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -89.941423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.941423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.941423 (E_RNA) where: Base-Base interactions energy: -45.131 where: short stacking energy: -25.647 Base-Backbone interact. energy: -1.098 local terms energy: -43.713077 where: bonds (distance) C4'-P energy: -12.877 bonds (distance) P-C4' energy: -10.675 flat angles C4'-P-C4' energy: -9.794 flat angles P-C4'-P energy: -7.904 tors. eta vs tors. theta energy: -2.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -84.128725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.128725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.128725 (E_RNA) where: Base-Base interactions energy: -39.173 where: short stacking energy: -36.626 Base-Backbone interact. energy: -0.048 local terms energy: -44.907362 where: bonds (distance) C4'-P energy: -10.430 bonds (distance) P-C4' energy: -11.904 flat angles C4'-P-C4' energy: -10.075 flat angles P-C4'-P energy: -6.934 tors. eta vs tors. theta energy: -5.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -67.174397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.174397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.174397 (E_RNA) where: Base-Base interactions energy: -28.102 where: short stacking energy: -28.102 Base-Backbone interact. energy: -0.040 local terms energy: -39.033007 where: bonds (distance) C4'-P energy: -12.268 bonds (distance) P-C4' energy: -8.561 flat angles C4'-P-C4' energy: -13.012 flat angles P-C4'-P energy: -4.115 tors. eta vs tors. theta energy: -1.076 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: 8 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -157.551423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.551423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.551423 (E_RNA) where: Base-Base interactions energy: -94.992 where: short stacking energy: -63.062 Base-Backbone interact. energy: -0.001 local terms energy: -62.557942 where: bonds (distance) C4'-P energy: -11.661 bonds (distance) P-C4' energy: -12.395 flat angles C4'-P-C4' energy: -13.460 flat angles P-C4'-P energy: -10.192 tors. eta vs tors. theta energy: -14.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -146.102783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.102783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.102783 (E_RNA) where: Base-Base interactions energy: -90.775 where: short stacking energy: -55.981 Base-Backbone interact. energy: 1.266 local terms energy: -56.593856 where: bonds (distance) C4'-P energy: -9.851 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -12.848 flat angles P-C4'-P energy: -6.548 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: 3, replica: 6 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -137.105977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.105977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.105977 (E_RNA) where: Base-Base interactions energy: -78.891 where: short stacking energy: -52.801 Base-Backbone interact. energy: -0.264 local terms energy: -57.951609 where: bonds (distance) C4'-P energy: -10.276 bonds (distance) P-C4' energy: -14.695 flat angles C4'-P-C4' energy: -16.541 flat angles P-C4'-P energy: -7.958 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: 4, replica: 7 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -135.569699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.569699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.569699 (E_RNA) where: Base-Base interactions energy: -74.818 where: short stacking energy: -47.552 Base-Backbone interact. energy: -0.539 local terms energy: -60.212234 where: bonds (distance) C4'-P energy: -11.076 bonds (distance) P-C4' energy: -14.930 flat angles C4'-P-C4' energy: -15.204 flat angles P-C4'-P energy: -9.058 tors. eta vs tors. theta energy: -9.944 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: 2 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -132.490670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.490670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.490670 (E_RNA) where: Base-Base interactions energy: -80.132 where: short stacking energy: -45.531 Base-Backbone interact. energy: -0.102 local terms energy: -52.257180 where: bonds (distance) C4'-P energy: -9.242 bonds (distance) P-C4' energy: -14.035 flat angles C4'-P-C4' energy: -8.524 flat angles P-C4'-P energy: -9.159 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: 6, replica: 5 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -88.130915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.130915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.130915 (E_RNA) where: Base-Base interactions energy: -41.974 where: short stacking energy: -27.309 Base-Backbone interact. energy: -0.225 local terms energy: -45.932269 where: bonds (distance) C4'-P energy: -10.473 bonds (distance) P-C4' energy: -12.083 flat angles C4'-P-C4' energy: -11.442 flat angles P-C4'-P energy: -6.318 tors. eta vs tors. theta energy: -5.615 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: 3 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -94.545334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.545334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.545334 (E_RNA) where: Base-Base interactions energy: -44.522 where: short stacking energy: -41.973 Base-Backbone interact. energy: -0.183 local terms energy: -49.840597 where: bonds (distance) C4'-P energy: -11.167 bonds (distance) P-C4' energy: -12.339 flat angles C4'-P-C4' energy: -11.660 flat angles P-C4'-P energy: -3.082 tors. eta vs tors. theta energy: -11.592 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: 9 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -88.557673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.557673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.557673 (E_RNA) where: Base-Base interactions energy: -39.018 where: short stacking energy: -34.661 Base-Backbone interact. energy: -0.440 local terms energy: -49.099785 where: bonds (distance) C4'-P energy: -12.934 bonds (distance) P-C4' energy: -11.725 flat angles C4'-P-C4' energy: -11.112 flat angles P-C4'-P energy: -6.844 tors. eta vs tors. theta energy: -6.485 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: 10 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -86.157739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.157739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.157739 (E_RNA) where: Base-Base interactions energy: -34.101 where: short stacking energy: -31.485 Base-Backbone interact. energy: -0.002 local terms energy: -52.055386 where: bonds (distance) C4'-P energy: -11.014 bonds (distance) P-C4' energy: -12.845 flat angles C4'-P-C4' energy: -13.850 flat angles P-C4'-P energy: -6.689 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: 10, replica: 1 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -83.251078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.251078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.251078 (E_RNA) where: Base-Base interactions energy: -38.839 where: short stacking energy: -36.905 Base-Backbone interact. energy: -0.022 local terms energy: -44.390072 where: bonds (distance) C4'-P energy: -3.886 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -12.178 flat angles P-C4'-P energy: -9.114 tors. eta vs tors. theta energy: -5.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -155.229788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.229788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.229788 (E_RNA) where: Base-Base interactions energy: -88.829 where: short stacking energy: -59.465 Base-Backbone interact. energy: -1.071 local terms energy: -65.330002 where: bonds (distance) C4'-P energy: -14.430 bonds (distance) P-C4' energy: -11.514 flat angles C4'-P-C4' energy: -14.962 flat angles P-C4'-P energy: -10.332 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: 4 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -163.278496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.278496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.278496 (E_RNA) where: Base-Base interactions energy: -96.113 where: short stacking energy: -60.671 Base-Backbone interact. energy: -0.160 local terms energy: -67.006197 where: bonds (distance) C4'-P energy: -13.435 bonds (distance) P-C4' energy: -14.176 flat angles C4'-P-C4' energy: -13.180 flat angles P-C4'-P energy: -10.725 tors. eta vs tors. theta energy: -15.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -139.886286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.886286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.886286 (E_RNA) where: Base-Base interactions energy: -83.575 where: short stacking energy: -47.805 Base-Backbone interact. energy: -0.540 local terms energy: -55.770819 where: bonds (distance) C4'-P energy: -12.188 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -11.867 flat angles P-C4'-P energy: -7.869 tors. eta vs tors. theta energy: -9.236 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: 7 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -134.894305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.894305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.894305 (E_RNA) where: Base-Base interactions energy: -81.876 where: short stacking energy: -48.409 Base-Backbone interact. energy: -0.010 local terms energy: -53.008007 where: bonds (distance) C4'-P energy: -11.995 bonds (distance) P-C4' energy: -9.037 flat angles C4'-P-C4' energy: -12.224 flat angles P-C4'-P energy: -8.485 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: 2 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -133.828421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.828421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.828421 (E_RNA) where: Base-Base interactions energy: -79.742 where: short stacking energy: -52.115 Base-Backbone interact. energy: -0.002 local terms energy: -54.084344 where: bonds (distance) C4'-P energy: -14.831 bonds (distance) P-C4' energy: -10.130 flat angles C4'-P-C4' energy: -11.915 flat angles P-C4'-P energy: -5.602 tors. eta vs tors. theta energy: -11.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -100.821543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.821543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.821543 (E_RNA) where: Base-Base interactions energy: -49.984 where: short stacking energy: -49.984 Base-Backbone interact. energy: -0.072 local terms energy: -50.765573 where: bonds (distance) C4'-P energy: -11.527 bonds (distance) P-C4' energy: -9.309 flat angles C4'-P-C4' energy: -12.297 flat angles P-C4'-P energy: -8.703 tors. eta vs tors. theta energy: -8.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -91.713865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.713865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.713865 (E_RNA) where: Base-Base interactions energy: -41.603 where: short stacking energy: -41.603 Base-Backbone interact. energy: -0.068 local terms energy: -50.042310 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -11.324 flat angles C4'-P-C4' energy: -15.409 flat angles P-C4'-P energy: -6.265 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: 8, replica: 3 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -81.729635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.729635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.729635 (E_RNA) where: Base-Base interactions energy: -39.713 where: short stacking energy: -36.348 Base-Backbone interact. energy: 0.019 local terms energy: -42.035212 where: bonds (distance) C4'-P energy: -12.662 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -4.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -82.581856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.581856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.581856 (E_RNA) where: Base-Base interactions energy: -38.239 where: short stacking energy: -38.239 Base-Backbone interact. energy: -0.459 local terms energy: -43.884036 where: bonds (distance) C4'-P energy: -13.259 bonds (distance) P-C4' energy: -9.690 flat angles C4'-P-C4' energy: -12.663 flat angles P-C4'-P energy: -6.598 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: 10, replica: 10 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -72.755797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.755797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.755797 (E_RNA) where: Base-Base interactions energy: -34.228 where: short stacking energy: -33.863 Base-Backbone interact. energy: 0.501 local terms energy: -39.028382 where: bonds (distance) C4'-P energy: -11.511 bonds (distance) P-C4' energy: -11.492 flat angles C4'-P-C4' energy: -10.594 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -1.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -160.597354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.597354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.597354 (E_RNA) where: Base-Base interactions energy: -94.653 where: short stacking energy: -62.962 Base-Backbone interact. energy: -0.292 local terms energy: -65.652261 where: bonds (distance) C4'-P energy: -12.091 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -12.874 flat angles P-C4'-P energy: -8.797 tors. eta vs tors. theta energy: -17.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -146.836700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.836700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.836700 (E_RNA) where: Base-Base interactions energy: -90.655 where: short stacking energy: -58.759 Base-Backbone interact. energy: -0.013 local terms energy: -56.167979 where: bonds (distance) C4'-P energy: -10.185 bonds (distance) P-C4' energy: -15.237 flat angles C4'-P-C4' energy: -9.215 flat angles P-C4'-P energy: -10.121 tors. eta vs tors. theta energy: -11.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -149.800632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.800632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.800632 (E_RNA) where: Base-Base interactions energy: -90.719 where: short stacking energy: -49.785 Base-Backbone interact. energy: 1.098 local terms energy: -60.179744 where: bonds (distance) C4'-P energy: -10.873 bonds (distance) P-C4' energy: -12.750 flat angles C4'-P-C4' energy: -13.812 flat angles P-C4'-P energy: -7.827 tors. eta vs tors. theta energy: -14.918 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: 2 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -121.611961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.611961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.611961 (E_RNA) where: Base-Base interactions energy: -71.457 where: short stacking energy: -45.348 Base-Backbone interact. energy: -0.006 local terms energy: -50.149523 where: bonds (distance) C4'-P energy: -10.459 bonds (distance) P-C4' energy: -11.449 flat angles C4'-P-C4' energy: -12.701 flat angles P-C4'-P energy: -5.784 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: 5, replica: 7 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -138.635189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.635189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.635189 (E_RNA) where: Base-Base interactions energy: -83.529 where: short stacking energy: -44.955 Base-Backbone interact. energy: -0.591 local terms energy: -54.514816 where: bonds (distance) C4'-P energy: -13.962 bonds (distance) P-C4' energy: -9.307 flat angles C4'-P-C4' energy: -14.297 flat angles P-C4'-P energy: -8.381 tors. eta vs tors. theta energy: -8.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -103.913424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.913424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.913424 (E_RNA) where: Base-Base interactions energy: -54.884 where: short stacking energy: -45.835 Base-Backbone interact. energy: 0.345 local terms energy: -49.374280 where: bonds (distance) C4'-P energy: -11.371 bonds (distance) P-C4' energy: -13.409 flat angles C4'-P-C4' energy: -9.195 flat angles P-C4'-P energy: -9.589 tors. eta vs tors. theta energy: -5.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -93.380061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.380061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.380061 (E_RNA) where: Base-Base interactions energy: -40.420 where: short stacking energy: -40.420 Base-Backbone interact. energy: -0.013 local terms energy: -52.947019 where: bonds (distance) C4'-P energy: -13.511 bonds (distance) P-C4' energy: -10.924 flat angles C4'-P-C4' energy: -14.711 flat angles P-C4'-P energy: -6.893 tors. eta vs tors. theta energy: -6.908 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: 437 Temperature: 1.250000 Total energy: -85.132759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.132759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.132759 (E_RNA) where: Base-Base interactions energy: -33.410 where: short stacking energy: -33.410 Base-Backbone interact. energy: -0.059 local terms energy: -51.663931 where: bonds (distance) C4'-P energy: -14.250 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -12.177 flat angles P-C4'-P energy: -7.520 tors. eta vs tors. theta energy: -1.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -76.481672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.481672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.481672 (E_RNA) where: Base-Base interactions energy: -31.361 where: short stacking energy: -30.819 Base-Backbone interact. energy: -0.013 local terms energy: -45.107887 where: bonds (distance) C4'-P energy: -7.997 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -11.253 flat angles P-C4'-P energy: -8.674 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: 10 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -80.740151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.740151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.740151 (E_RNA) where: Base-Base interactions energy: -34.221 where: short stacking energy: -33.841 Base-Backbone interact. energy: -0.058 local terms energy: -46.461439 where: bonds (distance) C4'-P energy: -14.893 bonds (distance) P-C4' energy: -12.352 flat angles C4'-P-C4' energy: -8.842 flat angles P-C4'-P energy: -1.649 tors. eta vs tors. theta energy: -8.726 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: 438 Temperature: 0.900000 Total energy: -167.463025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.463025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.463025 (E_RNA) where: Base-Base interactions energy: -102.514 where: short stacking energy: -68.151 Base-Backbone interact. energy: -0.375 local terms energy: -64.574063 where: bonds (distance) C4'-P energy: -15.029 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -8.423 flat angles P-C4'-P energy: -8.643 tors. eta vs tors. theta energy: -18.739 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: 8 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -146.103394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.103394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.103394 (E_RNA) where: Base-Base interactions energy: -88.229 where: short stacking energy: -50.646 Base-Backbone interact. energy: 0.425 local terms energy: -58.299452 where: bonds (distance) C4'-P energy: -11.093 bonds (distance) P-C4' energy: -12.253 flat angles C4'-P-C4' energy: -14.705 flat angles P-C4'-P energy: -9.402 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: 3, replica: 4 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -137.712743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.712743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.712743 (E_RNA) where: Base-Base interactions energy: -83.494 where: short stacking energy: -49.760 Base-Backbone interact. energy: -0.046 local terms energy: -54.172532 where: bonds (distance) C4'-P energy: -10.004 bonds (distance) P-C4' energy: -13.514 flat angles C4'-P-C4' energy: -11.713 flat angles P-C4'-P energy: -10.373 tors. eta vs tors. theta energy: -8.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -131.513519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.513519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.513519 (E_RNA) where: Base-Base interactions energy: -76.704 where: short stacking energy: -50.385 Base-Backbone interact. energy: -0.021 local terms energy: -54.788552 where: bonds (distance) C4'-P energy: -11.572 bonds (distance) P-C4' energy: -11.126 flat angles C4'-P-C4' energy: -12.124 flat angles P-C4'-P energy: -8.860 tors. eta vs tors. theta energy: -11.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -124.774591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.774591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.774591 (E_RNA) where: Base-Base interactions energy: -71.045 where: short stacking energy: -36.592 Base-Backbone interact. energy: -0.104 local terms energy: -53.625452 where: bonds (distance) C4'-P energy: -14.640 bonds (distance) P-C4' energy: -13.614 flat angles C4'-P-C4' energy: -13.650 flat angles P-C4'-P energy: -8.673 tors. eta vs tors. theta energy: -3.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -83.343084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.343084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.343084 (E_RNA) where: Base-Base interactions energy: -33.873 where: short stacking energy: -33.798 Base-Backbone interact. energy: 0.025 local terms energy: -49.495525 where: bonds (distance) C4'-P energy: -13.113 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -13.399 flat angles P-C4'-P energy: -8.900 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: 7, replica: 1 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -91.870080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.870080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.870080 (E_RNA) where: Base-Base interactions energy: -43.565 where: short stacking energy: -43.565 Base-Backbone interact. energy: -0.027 local terms energy: -48.278280 where: bonds (distance) C4'-P energy: -13.937 bonds (distance) P-C4' energy: -11.846 flat angles C4'-P-C4' energy: -9.883 flat angles P-C4'-P energy: -7.872 tors. eta vs tors. theta energy: -4.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -89.960553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.960553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.960553 (E_RNA) where: Base-Base interactions energy: -37.819 where: short stacking energy: -37.819 Base-Backbone interact. energy: -0.004 local terms energy: -52.137857 where: bonds (distance) C4'-P energy: -15.497 bonds (distance) P-C4' energy: -10.445 flat angles C4'-P-C4' energy: -13.472 flat angles P-C4'-P energy: -7.398 tors. eta vs tors. theta energy: -5.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -80.099454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.099454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.099454 (E_RNA) where: Base-Base interactions energy: -37.934 where: short stacking energy: -32.688 Base-Backbone interact. energy: -0.034 local terms energy: -42.130706 where: bonds (distance) C4'-P energy: -8.746 bonds (distance) P-C4' energy: -12.200 flat angles C4'-P-C4' energy: -6.579 flat angles P-C4'-P energy: -8.257 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: 10, replica: 3 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -71.345216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.345216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.345216 (E_RNA) where: Base-Base interactions energy: -29.972 where: short stacking energy: -29.283 Base-Backbone interact. energy: 0.830 local terms energy: -42.203077 where: bonds (distance) C4'-P energy: -13.283 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -10.386 flat angles P-C4'-P energy: -2.793 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: 1, replica: 6 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -156.623411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.623411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.623411 (E_RNA) where: Base-Base interactions energy: -93.772 where: short stacking energy: -59.049 Base-Backbone interact. energy: -0.326 local terms energy: -62.526049 where: bonds (distance) C4'-P energy: -14.863 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -13.481 flat angles P-C4'-P energy: -8.836 tors. eta vs tors. theta energy: -12.293 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: 2, replica: 8 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -151.090501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.090501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.090501 (E_RNA) where: Base-Base interactions energy: -94.415 where: short stacking energy: -61.418 Base-Backbone interact. energy: -0.001 local terms energy: -56.674328 where: bonds (distance) C4'-P energy: -11.421 bonds (distance) P-C4' energy: -11.912 flat angles C4'-P-C4' energy: -11.847 flat angles P-C4'-P energy: -8.554 tors. eta vs tors. theta energy: -12.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -133.475645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.475645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.475645 (E_RNA) where: Base-Base interactions energy: -78.950 where: short stacking energy: -47.492 Base-Backbone interact. energy: 0.641 local terms energy: -55.165830 where: bonds (distance) C4'-P energy: -11.060 bonds (distance) P-C4' energy: -13.163 flat angles C4'-P-C4' energy: -12.240 flat angles P-C4'-P energy: -9.098 tors. eta vs tors. theta energy: -9.605 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: 7 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -139.102667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.102667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.102667 (E_RNA) where: Base-Base interactions energy: -80.802 where: short stacking energy: -45.357 Base-Backbone interact. energy: 0.697 local terms energy: -58.997239 where: bonds (distance) C4'-P energy: -12.335 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -12.562 flat angles P-C4'-P energy: -9.373 tors. eta vs tors. theta energy: -11.189 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: 2 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -132.373606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.373606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.373606 (E_RNA) where: Base-Base interactions energy: -77.839 where: short stacking energy: -38.234 Base-Backbone interact. energy: -0.001 local terms energy: -54.534341 where: bonds (distance) C4'-P energy: -11.048 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -12.222 flat angles P-C4'-P energy: -8.692 tors. eta vs tors. theta energy: -7.103 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: 1 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -88.229971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.229971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.229971 (E_RNA) where: Base-Base interactions energy: -39.673 where: short stacking energy: -34.538 Base-Backbone interact. energy: -0.022 local terms energy: -48.534287 where: bonds (distance) C4'-P energy: -9.772 bonds (distance) P-C4' energy: -14.833 flat angles C4'-P-C4' energy: -10.607 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -7.460 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: 9 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -90.698005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.698005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.698005 (E_RNA) where: Base-Base interactions energy: -49.308 where: short stacking energy: -40.173 Base-Backbone interact. energy: -0.101 local terms energy: -41.288945 where: bonds (distance) C4'-P energy: -11.254 bonds (distance) P-C4' energy: -11.855 flat angles C4'-P-C4' energy: -7.586 flat angles P-C4'-P energy: -5.111 tors. eta vs tors. theta energy: -5.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -91.514187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.514187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.514187 (E_RNA) where: Base-Base interactions energy: -45.589 where: short stacking energy: -45.589 Base-Backbone interact. energy: -0.122 local terms energy: -45.803107 where: bonds (distance) C4'-P energy: -9.346 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -9.728 flat angles P-C4'-P energy: -5.493 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: 9, replica: 10 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -79.117470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.117470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.117470 (E_RNA) where: Base-Base interactions energy: -33.398 where: short stacking energy: -28.815 Base-Backbone interact. energy: -0.227 local terms energy: -45.492042 where: bonds (distance) C4'-P energy: -11.046 bonds (distance) P-C4' energy: -12.754 flat angles C4'-P-C4' energy: -13.910 flat angles P-C4'-P energy: -3.380 tors. eta vs tors. theta energy: -4.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -91.615190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.615190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.615190 (E_RNA) where: Base-Base interactions energy: -39.068 where: short stacking energy: -38.578 Base-Backbone interact. energy: -0.102 local terms energy: -52.445043 where: bonds (distance) C4'-P energy: -11.515 bonds (distance) P-C4' energy: -11.538 flat angles C4'-P-C4' energy: -14.789 flat angles P-C4'-P energy: -7.267 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: 1, replica: 8 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -155.910839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.910839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.910839 (E_RNA) where: Base-Base interactions energy: -96.445 where: short stacking energy: -65.064 Base-Backbone interact. energy: -0.005 local terms energy: -59.461467 where: bonds (distance) C4'-P energy: -10.129 bonds (distance) P-C4' energy: -11.690 flat angles C4'-P-C4' energy: -12.522 flat angles P-C4'-P energy: -10.810 tors. eta vs tors. theta energy: -14.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -156.075058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.075058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.075058 (E_RNA) where: Base-Base interactions energy: -96.519 where: short stacking energy: -63.294 Base-Backbone interact. energy: -0.057 local terms energy: -59.498756 where: bonds (distance) C4'-P energy: -11.544 bonds (distance) P-C4' energy: -12.706 flat angles C4'-P-C4' energy: -13.502 flat angles P-C4'-P energy: -7.128 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: 3, replica: 7 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -154.727882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.727882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.727882 (E_RNA) where: Base-Base interactions energy: -94.620 where: short stacking energy: -59.802 Base-Backbone interact. energy: -0.790 local terms energy: -59.317513 where: bonds (distance) C4'-P energy: -11.713 bonds (distance) P-C4' energy: -14.528 flat angles C4'-P-C4' energy: -12.643 flat angles P-C4'-P energy: -7.390 tors. eta vs tors. theta energy: -13.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -143.514975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.514975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.514975 (E_RNA) where: Base-Base interactions energy: -80.506 where: short stacking energy: -50.798 Base-Backbone interact. energy: -0.030 local terms energy: -62.979476 where: bonds (distance) C4'-P energy: -12.372 bonds (distance) P-C4' energy: -14.664 flat angles C4'-P-C4' energy: -12.868 flat angles P-C4'-P energy: -11.111 tors. eta vs tors. theta energy: -11.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -123.245125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.245125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.245125 (E_RNA) where: Base-Base interactions energy: -71.885 where: short stacking energy: -40.787 Base-Backbone interact. energy: -0.118 local terms energy: -51.242246 where: bonds (distance) C4'-P energy: -11.744 bonds (distance) P-C4' energy: -11.906 flat angles C4'-P-C4' energy: -13.962 flat angles P-C4'-P energy: -7.878 tors. eta vs tors. theta energy: -5.752 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: 440 Temperature: 1.150000 Total energy: -103.940542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.940542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.940542 (E_RNA) where: Base-Base interactions energy: -47.161 where: short stacking energy: -47.161 Base-Backbone interact. energy: -0.027 local terms energy: -56.751933 where: bonds (distance) C4'-P energy: -11.077 bonds (distance) P-C4' energy: -14.146 flat angles C4'-P-C4' energy: -15.141 flat angles P-C4'-P energy: -5.525 tors. eta vs tors. theta energy: -10.863 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: 7, replica: 5 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -96.317702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.317702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.317702 (E_RNA) where: Base-Base interactions energy: -48.325 where: short stacking energy: -43.123 Base-Backbone interact. energy: -0.084 local terms energy: -47.909217 where: bonds (distance) C4'-P energy: -10.243 bonds (distance) P-C4' energy: -13.172 flat angles C4'-P-C4' energy: -12.240 flat angles P-C4'-P energy: -4.614 tors. eta vs tors. theta energy: -7.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -86.111714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.111714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.111714 (E_RNA) where: Base-Base interactions energy: -35.412 where: short stacking energy: -31.987 Base-Backbone interact. energy: -0.852 local terms energy: -49.847683 where: bonds (distance) C4'-P energy: -12.633 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -12.907 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -6.394 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: 3 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -78.869759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.869759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.869759 (E_RNA) where: Base-Base interactions energy: -33.477 where: short stacking energy: -30.466 Base-Backbone interact. energy: 0.615 local terms energy: -46.007423 where: bonds (distance) C4'-P energy: -13.729 bonds (distance) P-C4' energy: -13.356 flat angles C4'-P-C4' energy: -11.631 flat angles P-C4'-P energy: -3.175 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: 10, replica: 10 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -75.878946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.878946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.878946 (E_RNA) where: Base-Base interactions energy: -31.207 where: short stacking energy: -28.604 Base-Backbone interact. energy: -0.044 local terms energy: -44.628709 where: bonds (distance) C4'-P energy: -10.740 bonds (distance) P-C4' energy: -8.375 flat angles C4'-P-C4' energy: -14.658 flat angles P-C4'-P energy: -6.564 tors. eta vs tors. theta energy: -4.292 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: 8 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -167.971452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.971452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.971452 (E_RNA) where: Base-Base interactions energy: -104.234 where: short stacking energy: -66.343 Base-Backbone interact. energy: 0.031 local terms energy: -63.768616 where: bonds (distance) C4'-P energy: -11.987 bonds (distance) P-C4' energy: -15.266 flat angles C4'-P-C4' energy: -13.263 flat angles P-C4'-P energy: -6.705 tors. eta vs tors. theta energy: -16.548 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: 7 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -165.822875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.822875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.822875 (E_RNA) where: Base-Base interactions energy: -101.185 where: short stacking energy: -67.548 Base-Backbone interact. energy: -0.000 local terms energy: -64.637680 where: bonds (distance) C4'-P energy: -10.003 bonds (distance) P-C4' energy: -13.685 flat angles C4'-P-C4' energy: -14.160 flat angles P-C4'-P energy: -7.834 tors. eta vs tors. theta energy: -18.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -157.449962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.449962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.449962 (E_RNA) where: Base-Base interactions energy: -94.237 where: short stacking energy: -58.781 Base-Backbone interact. energy: -0.033 local terms energy: -63.180001 where: bonds (distance) C4'-P energy: -13.430 bonds (distance) P-C4' energy: -16.482 flat angles C4'-P-C4' energy: -12.882 flat angles P-C4'-P energy: -7.374 tors. eta vs tors. theta energy: -13.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -136.454193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.454193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.454193 (E_RNA) where: Base-Base interactions energy: -84.272 where: short stacking energy: -54.323 Base-Backbone interact. energy: -0.069 local terms energy: -52.113343 where: bonds (distance) C4'-P energy: -10.988 bonds (distance) P-C4' energy: -13.359 flat angles C4'-P-C4' energy: -13.734 flat angles P-C4'-P energy: -5.405 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: 5, replica: 4 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -124.898571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.898571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.898571 (E_RNA) where: Base-Base interactions energy: -76.041 where: short stacking energy: -47.324 Base-Backbone interact. energy: -1.211 local terms energy: -47.646846 where: bonds (distance) C4'-P energy: -14.228 bonds (distance) P-C4' energy: -9.159 flat angles C4'-P-C4' energy: -12.022 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: -7.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -92.469559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.469559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.469559 (E_RNA) where: Base-Base interactions energy: -46.711 where: short stacking energy: -46.711 Base-Backbone interact. energy: -0.035 local terms energy: -45.723454 where: bonds (distance) C4'-P energy: -12.725 bonds (distance) P-C4' energy: -11.077 flat angles C4'-P-C4' energy: -9.482 flat angles P-C4'-P energy: -7.248 tors. eta vs tors. theta energy: -5.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -90.069143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.069143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.069143 (E_RNA) where: Base-Base interactions energy: -40.272 where: short stacking energy: -40.272 Base-Backbone interact. energy: -0.035 local terms energy: -49.762740 where: bonds (distance) C4'-P energy: -12.550 bonds (distance) P-C4' energy: -10.554 flat angles C4'-P-C4' energy: -14.983 flat angles P-C4'-P energy: -8.062 tors. eta vs tors. theta energy: -3.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -92.854256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.854256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.854256 (E_RNA) where: Base-Base interactions energy: -40.991 where: short stacking energy: -38.755 Base-Backbone interact. energy: -0.194 local terms energy: -51.668675 where: bonds (distance) C4'-P energy: -11.825 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -7.826 flat angles P-C4'-P energy: -10.223 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: 9, replica: 3 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -79.627715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.627715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.627715 (E_RNA) where: Base-Base interactions energy: -27.465 where: short stacking energy: -25.173 Base-Backbone interact. energy: -0.169 local terms energy: -51.993934 where: bonds (distance) C4'-P energy: -14.422 bonds (distance) P-C4' energy: -15.298 flat angles C4'-P-C4' energy: -11.965 flat angles P-C4'-P energy: -9.662 tors. eta vs tors. theta energy: -0.647 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: 441 Temperature: 1.350000 Total energy: -70.386219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.386219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.386219 (E_RNA) where: Base-Base interactions energy: -34.311 where: short stacking energy: -24.332 Base-Backbone interact. energy: 0.912 local terms energy: -36.987299 where: bonds (distance) C4'-P energy: -11.655 bonds (distance) P-C4' energy: -9.995 flat angles C4'-P-C4' energy: -9.927 flat angles P-C4'-P energy: -5.681 tors. eta vs tors. theta energy: 0.271 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: 7 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -175.393434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.393434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.393434 (E_RNA) where: Base-Base interactions energy: -106.134 where: short stacking energy: -63.622 Base-Backbone interact. energy: -0.002 local terms energy: -69.257163 where: bonds (distance) C4'-P energy: -13.092 bonds (distance) P-C4' energy: -15.572 flat angles C4'-P-C4' energy: -12.801 flat angles P-C4'-P energy: -10.969 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: 8 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -169.740815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.740815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.740815 (E_RNA) where: Base-Base interactions energy: -97.209 where: short stacking energy: -65.289 Base-Backbone interact. energy: -0.000 local terms energy: -72.531346 where: bonds (distance) C4'-P energy: -13.854 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -14.275 flat angles P-C4'-P energy: -9.383 tors. eta vs tors. theta energy: -19.761 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: 3, replica: 6 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -146.523418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.523418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.523418 (E_RNA) where: Base-Base interactions energy: -88.667 where: short stacking energy: -50.840 Base-Backbone interact. energy: -0.701 local terms energy: -57.154852 where: bonds (distance) C4'-P energy: -12.686 bonds (distance) P-C4' energy: -10.848 flat angles C4'-P-C4' energy: -13.882 flat angles P-C4'-P energy: -7.762 tors. eta vs tors. theta energy: -11.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -131.149715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.149715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.149715 (E_RNA) where: Base-Base interactions energy: -77.096 where: short stacking energy: -53.682 Base-Backbone interact. energy: -0.006 local terms energy: -54.047539 where: bonds (distance) C4'-P energy: -14.636 bonds (distance) P-C4' energy: -10.337 flat angles C4'-P-C4' energy: -9.994 flat angles P-C4'-P energy: -8.562 tors. eta vs tors. theta energy: -10.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -138.746312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.746312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.746312 (E_RNA) where: Base-Base interactions energy: -79.684 where: short stacking energy: -48.329 Base-Backbone interact. energy: -0.010 local terms energy: -59.052420 where: bonds (distance) C4'-P energy: -11.384 bonds (distance) P-C4' energy: -13.075 flat angles C4'-P-C4' energy: -13.766 flat angles P-C4'-P energy: -10.571 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: 6, replica: 5 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -107.706400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.706400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.706400 (E_RNA) where: Base-Base interactions energy: -57.092 where: short stacking energy: -48.771 Base-Backbone interact. energy: -0.890 local terms energy: -49.724913 where: bonds (distance) C4'-P energy: -13.588 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -11.539 flat angles P-C4'-P energy: -7.926 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: 7, replica: 9 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -88.561726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.561726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.561726 (E_RNA) where: Base-Base interactions energy: -37.785 where: short stacking energy: -37.785 Base-Backbone interact. energy: -0.118 local terms energy: -50.659047 where: bonds (distance) C4'-P energy: -12.720 bonds (distance) P-C4' energy: -11.498 flat angles C4'-P-C4' energy: -13.518 flat angles P-C4'-P energy: -4.812 tors. eta vs tors. theta energy: -8.111 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: 1 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -76.556190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.556190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.556190 (E_RNA) where: Base-Base interactions energy: -24.080 where: short stacking energy: -25.231 Base-Backbone interact. energy: -0.002 local terms energy: -52.473831 where: bonds (distance) C4'-P energy: -12.103 bonds (distance) P-C4' energy: -13.327 flat angles C4'-P-C4' energy: -15.407 flat angles P-C4'-P energy: -7.146 tors. eta vs tors. theta energy: -4.490 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: 10 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -76.262923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.262923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.262923 (E_RNA) where: Base-Base interactions energy: -36.004 where: short stacking energy: -31.818 Base-Backbone interact. energy: -0.010 local terms energy: -40.248233 where: bonds (distance) C4'-P energy: -9.842 bonds (distance) P-C4' energy: -13.684 flat angles C4'-P-C4' energy: -11.605 flat angles P-C4'-P energy: -2.735 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: 3 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -81.591224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.591224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.591224 (E_RNA) where: Base-Base interactions energy: -41.686 where: short stacking energy: -25.593 Base-Backbone interact. energy: -0.202 local terms energy: -39.703159 where: bonds (distance) C4'-P energy: -12.026 bonds (distance) P-C4' energy: -11.073 flat angles C4'-P-C4' energy: -10.603 flat angles P-C4'-P energy: -4.389 tors. eta vs tors. theta energy: -1.613 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: 7 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -163.096283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.096283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.096283 (E_RNA) where: Base-Base interactions energy: -101.603 where: short stacking energy: -54.930 Base-Backbone interact. energy: -0.007 local terms energy: -61.486735 where: bonds (distance) C4'-P energy: -12.940 bonds (distance) P-C4' energy: -11.829 flat angles C4'-P-C4' energy: -13.105 flat angles P-C4'-P energy: -9.684 tors. eta vs tors. theta energy: -13.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -145.045094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.045094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.045094 (E_RNA) where: Base-Base interactions energy: -84.570 where: short stacking energy: -52.779 Base-Backbone interact. energy: -0.793 local terms energy: -59.682416 where: bonds (distance) C4'-P energy: -12.798 bonds (distance) P-C4' energy: -15.227 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -7.503 tors. eta vs tors. theta energy: -10.652 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: 3, replica: 8 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -159.017456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.017456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.017456 (E_RNA) where: Base-Base interactions energy: -101.113 where: short stacking energy: -61.632 Base-Backbone interact. energy: -0.003 local terms energy: -57.901930 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -14.072 flat angles C4'-P-C4' energy: -14.160 flat angles P-C4'-P energy: -5.254 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: 4 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -133.857348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.857348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.857348 (E_RNA) where: Base-Base interactions energy: -83.397 where: short stacking energy: -51.288 Base-Backbone interact. energy: -0.011 local terms energy: -50.449117 where: bonds (distance) C4'-P energy: -9.664 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -11.963 flat angles P-C4'-P energy: -1.314 tors. eta vs tors. theta energy: -12.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -141.780020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.780020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.780020 (E_RNA) where: Base-Base interactions energy: -81.392 where: short stacking energy: -50.734 Base-Backbone interact. energy: -0.022 local terms energy: -60.365993 where: bonds (distance) C4'-P energy: -14.620 bonds (distance) P-C4' energy: -12.888 flat angles C4'-P-C4' energy: -14.113 flat angles P-C4'-P energy: -5.186 tors. eta vs tors. theta energy: -13.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -95.303706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.303706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.303706 (E_RNA) where: Base-Base interactions energy: -51.495 where: short stacking energy: -51.495 Base-Backbone interact. energy: 1.114 local terms energy: -44.922897 where: bonds (distance) C4'-P energy: -8.517 bonds (distance) P-C4' energy: -8.740 flat angles C4'-P-C4' energy: -13.664 flat angles P-C4'-P energy: -5.713 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: 5 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -83.531913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.531913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.531913 (E_RNA) where: Base-Base interactions energy: -30.647 where: short stacking energy: -29.582 Base-Backbone interact. energy: -0.128 local terms energy: -52.757497 where: bonds (distance) C4'-P energy: -14.972 bonds (distance) P-C4' energy: -12.581 flat angles C4'-P-C4' energy: -13.223 flat angles P-C4'-P energy: -8.516 tors. eta vs tors. theta energy: -3.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -81.461764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.461764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.461764 (E_RNA) where: Base-Base interactions energy: -29.832 where: short stacking energy: -24.550 Base-Backbone interact. energy: -0.246 local terms energy: -51.384358 where: bonds (distance) C4'-P energy: -7.967 bonds (distance) P-C4' energy: -14.138 flat angles C4'-P-C4' energy: -14.431 flat angles P-C4'-P energy: -10.889 tors. eta vs tors. theta energy: -3.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -80.080051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.080051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.080051 (E_RNA) where: Base-Base interactions energy: -36.241 where: short stacking energy: -36.166 Base-Backbone interact. energy: -0.062 local terms energy: -43.777123 where: bonds (distance) C4'-P energy: -12.546 bonds (distance) P-C4' energy: -11.236 flat angles C4'-P-C4' energy: -12.500 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -3.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -84.117843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.117843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.117843 (E_RNA) where: Base-Base interactions energy: -34.548 where: short stacking energy: -32.813 Base-Backbone interact. energy: -0.034 local terms energy: -49.535640 where: bonds (distance) C4'-P energy: -7.511 bonds (distance) P-C4' energy: -12.448 flat angles C4'-P-C4' energy: -12.254 flat angles P-C4'-P energy: -8.529 tors. eta vs tors. theta energy: -8.793 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: 1, replica: 6 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -164.207858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.207858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.207858 (E_RNA) where: Base-Base interactions energy: -97.490 where: short stacking energy: -58.554 Base-Backbone interact. energy: -0.002 local terms energy: -66.715767 where: bonds (distance) C4'-P energy: -15.659 bonds (distance) P-C4' energy: -13.181 flat angles C4'-P-C4' energy: -15.035 flat angles P-C4'-P energy: -8.798 tors. eta vs tors. theta energy: -14.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -157.365762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.365762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.365762 (E_RNA) where: Base-Base interactions energy: -94.364 where: short stacking energy: -60.079 Base-Backbone interact. energy: -0.001 local terms energy: -63.000767 where: bonds (distance) C4'-P energy: -13.477 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -11.081 flat angles P-C4'-P energy: -8.662 tors. eta vs tors. theta energy: -15.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -170.491734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.491734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.491734 (E_RNA) where: Base-Base interactions energy: -101.378 where: short stacking energy: -70.828 Base-Backbone interact. energy: -0.003 local terms energy: -69.111402 where: bonds (distance) C4'-P energy: -12.823 bonds (distance) P-C4' energy: -12.993 flat angles C4'-P-C4' energy: -12.560 flat angles P-C4'-P energy: -11.330 tors. eta vs tors. theta energy: -19.406 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: 444 Temperature: 1.050000 Total energy: -143.919421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.919421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.919421 (E_RNA) where: Base-Base interactions energy: -83.652 where: short stacking energy: -55.481 Base-Backbone interact. energy: -0.005 local terms energy: -60.262010 where: bonds (distance) C4'-P energy: -13.136 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -12.845 flat angles P-C4'-P energy: -6.841 tors. eta vs tors. theta energy: -13.936 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: 5, replica: 2 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -135.666602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.666602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.666602 (E_RNA) where: Base-Base interactions energy: -81.041 where: short stacking energy: -53.820 Base-Backbone interact. energy: -0.142 local terms energy: -54.483664 where: bonds (distance) C4'-P energy: -13.039 bonds (distance) P-C4' energy: -14.022 flat angles C4'-P-C4' energy: -11.788 flat angles P-C4'-P energy: -6.769 tors. eta vs tors. theta energy: -8.864 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: 9 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -90.335594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.335594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.335594 (E_RNA) where: Base-Base interactions energy: -41.259 where: short stacking energy: -41.259 Base-Backbone interact. energy: -0.331 local terms energy: -48.745647 where: bonds (distance) C4'-P energy: -12.727 bonds (distance) P-C4' energy: -13.921 flat angles C4'-P-C4' energy: -11.881 flat angles P-C4'-P energy: -7.730 tors. eta vs tors. theta energy: -2.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -84.583399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.583399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.583399 (E_RNA) where: Base-Base interactions energy: -34.625 where: short stacking energy: -33.531 Base-Backbone interact. energy: -0.066 local terms energy: -49.893314 where: bonds (distance) C4'-P energy: -12.471 bonds (distance) P-C4' energy: -15.273 flat angles C4'-P-C4' energy: -10.145 flat angles P-C4'-P energy: -9.666 tors. eta vs tors. theta energy: -2.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -77.166082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.166082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.166082 (E_RNA) where: Base-Base interactions energy: -32.711 where: short stacking energy: -32.711 Base-Backbone interact. energy: -0.008 local terms energy: -44.447831 where: bonds (distance) C4'-P energy: -12.074 bonds (distance) P-C4' energy: -14.293 flat angles C4'-P-C4' energy: -7.208 flat angles P-C4'-P energy: -4.080 tors. eta vs tors. theta energy: -6.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -108.034949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.034949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.034949 (E_RNA) where: Base-Base interactions energy: -59.913 where: short stacking energy: -40.365 Base-Backbone interact. energy: -0.003 local terms energy: -48.118948 where: bonds (distance) C4'-P energy: -12.090 bonds (distance) P-C4' energy: -11.858 flat angles C4'-P-C4' energy: -12.504 flat angles P-C4'-P energy: -2.504 tors. eta vs tors. theta energy: -9.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -86.085186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.085186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.085186 (E_RNA) where: Base-Base interactions energy: -36.735 where: short stacking energy: -36.604 Base-Backbone interact. energy: -0.195 local terms energy: -49.154848 where: bonds (distance) C4'-P energy: -11.487 bonds (distance) P-C4' energy: -9.700 flat angles C4'-P-C4' energy: -10.477 flat angles P-C4'-P energy: -10.737 tors. eta vs tors. theta energy: -6.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -179.985900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.985900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.985900 (E_RNA) where: Base-Base interactions energy: -111.804 where: short stacking energy: -74.531 Base-Backbone interact. energy: -0.001 local terms energy: -68.180919 where: bonds (distance) C4'-P energy: -13.296 bonds (distance) P-C4' energy: -13.409 flat angles C4'-P-C4' energy: -14.477 flat angles P-C4'-P energy: -7.410 tors. eta vs tors. theta energy: -19.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -143.945760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.945760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.945760 (E_RNA) where: Base-Base interactions energy: -84.253 where: short stacking energy: -54.339 Base-Backbone interact. energy: -0.105 local terms energy: -59.587249 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -14.184 flat angles P-C4'-P energy: -8.957 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: 3, replica: 7 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -152.354199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.354199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.354199 (E_RNA) where: Base-Base interactions energy: -94.750 where: short stacking energy: -59.507 Base-Backbone interact. energy: -0.294 local terms energy: -57.310374 where: bonds (distance) C4'-P energy: -13.071 bonds (distance) P-C4' energy: -12.038 flat angles C4'-P-C4' energy: -12.074 flat angles P-C4'-P energy: -7.892 tors. eta vs tors. theta energy: -12.235 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: 445 Temperature: 1.050000 Total energy: -129.074662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.074662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.074662 (E_RNA) where: Base-Base interactions energy: -77.533 where: short stacking energy: -52.930 Base-Backbone interact. energy: -0.552 local terms energy: -50.989434 where: bonds (distance) C4'-P energy: -10.880 bonds (distance) P-C4' energy: -11.984 flat angles C4'-P-C4' energy: -10.988 flat angles P-C4'-P energy: -8.280 tors. eta vs tors. theta energy: -8.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -146.900609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.900609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.900609 (E_RNA) where: Base-Base interactions energy: -84.912 where: short stacking energy: -52.370 Base-Backbone interact. energy: -0.166 local terms energy: -61.821682 where: bonds (distance) C4'-P energy: -11.884 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -9.512 flat angles P-C4'-P energy: -9.311 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: 10 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -106.224615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.224615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.224615 (E_RNA) where: Base-Base interactions energy: -58.415 where: short stacking energy: -32.024 Base-Backbone interact. energy: -0.203 local terms energy: -47.606301 where: bonds (distance) C4'-P energy: -11.038 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -12.555 flat angles P-C4'-P energy: -8.373 tors. eta vs tors. theta energy: -1.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -110.882772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.882772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.882772 (E_RNA) where: Base-Base interactions energy: -57.310 where: short stacking energy: -43.117 Base-Backbone interact. energy: -0.015 local terms energy: -53.557806 where: bonds (distance) C4'-P energy: -12.744 bonds (distance) P-C4' energy: -11.437 flat angles C4'-P-C4' energy: -9.898 flat angles P-C4'-P energy: -10.468 tors. eta vs tors. theta energy: -9.011 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: 3 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -83.453630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.453630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.453630 (E_RNA) where: Base-Base interactions energy: -35.543 where: short stacking energy: -35.543 Base-Backbone interact. energy: -0.199 local terms energy: -47.712135 where: bonds (distance) C4'-P energy: -11.828 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -8.388 flat angles P-C4'-P energy: -9.013 tors. eta vs tors. theta energy: -4.478 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: 5 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -72.982673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.982673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.982673 (E_RNA) where: Base-Base interactions energy: -36.104 where: short stacking energy: -26.045 Base-Backbone interact. energy: 0.748 local terms energy: -37.627474 where: bonds (distance) C4'-P energy: -8.737 bonds (distance) P-C4' energy: -10.271 flat angles C4'-P-C4' energy: -13.299 flat angles P-C4'-P energy: -3.657 tors. eta vs tors. theta energy: -1.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -78.966996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.966996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.966996 (E_RNA) where: Base-Base interactions energy: -34.163 where: short stacking energy: -26.846 Base-Backbone interact. energy: -0.310 local terms energy: -44.493735 where: bonds (distance) C4'-P energy: -11.842 bonds (distance) P-C4' energy: -10.905 flat angles C4'-P-C4' energy: -11.327 flat angles P-C4'-P energy: -6.895 tors. eta vs tors. theta energy: -3.524 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: 446 Temperature: 0.900000 Total energy: -162.226164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.226164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.226164 (E_RNA) where: Base-Base interactions energy: -93.236 where: short stacking energy: -57.467 Base-Backbone interact. energy: -0.382 local terms energy: -68.607952 where: bonds (distance) C4'-P energy: -14.931 bonds (distance) P-C4' energy: -15.973 flat angles C4'-P-C4' energy: -15.166 flat angles P-C4'-P energy: -9.394 tors. eta vs tors. theta energy: -13.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -146.247998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.247998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.247998 (E_RNA) where: Base-Base interactions energy: -86.719 where: short stacking energy: -52.377 Base-Backbone interact. energy: -0.009 local terms energy: -59.520320 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -10.969 flat angles C4'-P-C4' energy: -13.685 flat angles P-C4'-P energy: -7.175 tors. eta vs tors. theta energy: -13.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -138.612008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.612008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.612008 (E_RNA) where: Base-Base interactions energy: -79.631 where: short stacking energy: -45.501 Base-Backbone interact. energy: -0.256 local terms energy: -58.724598 where: bonds (distance) C4'-P energy: -13.658 bonds (distance) P-C4' energy: -14.081 flat angles C4'-P-C4' energy: -13.123 flat angles P-C4'-P energy: -8.744 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: 4, replica: 2 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -132.756481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.756481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.756481 (E_RNA) where: Base-Base interactions energy: -79.891 where: short stacking energy: -48.155 Base-Backbone interact. energy: 0.334 local terms energy: -53.199976 where: bonds (distance) C4'-P energy: -11.449 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -12.432 flat angles P-C4'-P energy: -6.913 tors. eta vs tors. theta energy: -8.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -97.490997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.490997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.490997 (E_RNA) where: Base-Base interactions energy: -44.697 where: short stacking energy: -42.459 Base-Backbone interact. energy: 0.750 local terms energy: -53.543929 where: bonds (distance) C4'-P energy: -12.086 bonds (distance) P-C4' energy: -12.919 flat angles C4'-P-C4' energy: -9.634 flat angles P-C4'-P energy: -11.750 tors. eta vs tors. theta energy: -7.155 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: 4 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -142.127668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.127668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.127668 (E_RNA) where: Base-Base interactions energy: -81.976 where: short stacking energy: -58.155 Base-Backbone interact. energy: -0.009 local terms energy: -60.142430 where: bonds (distance) C4'-P energy: -10.036 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -15.268 flat angles P-C4'-P energy: -8.388 tors. eta vs tors. theta energy: -11.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -81.555834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.555834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.555834 (E_RNA) where: Base-Base interactions energy: -32.608 where: short stacking energy: -32.608 Base-Backbone interact. energy: -0.364 local terms energy: -48.584640 where: bonds (distance) C4'-P energy: -11.660 bonds (distance) P-C4' energy: -14.241 flat angles C4'-P-C4' energy: -11.491 flat angles P-C4'-P energy: -7.334 tors. eta vs tors. theta energy: -3.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -79.776663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.776663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.776663 (E_RNA) where: Base-Base interactions energy: -32.606 where: short stacking energy: -27.483 Base-Backbone interact. energy: -0.073 local terms energy: -47.097578 where: bonds (distance) C4'-P energy: -13.381 bonds (distance) P-C4' energy: -13.655 flat angles C4'-P-C4' energy: -9.833 flat angles P-C4'-P energy: -7.671 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: 9, replica: 1 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -81.696900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.696900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.696900 (E_RNA) where: Base-Base interactions energy: -41.679 where: short stacking energy: -22.036 Base-Backbone interact. energy: 1.330 local terms energy: -41.348822 where: bonds (distance) C4'-P energy: -8.584 bonds (distance) P-C4' energy: -9.389 flat angles C4'-P-C4' energy: -14.717 flat angles P-C4'-P energy: -10.565 tors. eta vs tors. theta energy: 1.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -76.173303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.173303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.173303 (E_RNA) where: Base-Base interactions energy: -30.962 where: short stacking energy: -30.962 Base-Backbone interact. energy: -0.052 local terms energy: -45.158869 where: bonds (distance) C4'-P energy: -12.029 bonds (distance) P-C4' energy: -10.306 flat angles C4'-P-C4' energy: -14.360 flat angles P-C4'-P energy: -3.408 tors. eta vs tors. theta energy: -5.056 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: 6 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -174.439622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.439622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.439622 (E_RNA) where: Base-Base interactions energy: -112.553 where: short stacking energy: -68.918 Base-Backbone interact. energy: -0.001 local terms energy: -61.885085 where: bonds (distance) C4'-P energy: -10.575 bonds (distance) P-C4' energy: -14.505 flat angles C4'-P-C4' energy: -13.198 flat angles P-C4'-P energy: -5.232 tors. eta vs tors. theta energy: -18.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -152.333922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.333922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.333922 (E_RNA) where: Base-Base interactions energy: -89.361 where: short stacking energy: -54.969 Base-Backbone interact. energy: -0.045 local terms energy: -62.927405 where: bonds (distance) C4'-P energy: -14.956 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -14.551 flat angles P-C4'-P energy: -8.885 tors. eta vs tors. theta energy: -10.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -136.754046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.754046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.754046 (E_RNA) where: Base-Base interactions energy: -77.642 where: short stacking energy: -45.583 Base-Backbone interact. energy: 0.029 local terms energy: -59.141103 where: bonds (distance) C4'-P energy: -14.905 bonds (distance) P-C4' energy: -12.943 flat angles C4'-P-C4' energy: -13.485 flat angles P-C4'-P energy: -8.625 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: 4, replica: 2 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -137.066660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.066660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.066660 (E_RNA) where: Base-Base interactions energy: -80.205 where: short stacking energy: -53.073 Base-Backbone interact. energy: -0.031 local terms energy: -56.830411 where: bonds (distance) C4'-P energy: -12.032 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -11.372 flat angles P-C4'-P energy: -12.208 tors. eta vs tors. theta energy: -7.932 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: 10 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -128.149654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.149654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.149654 (E_RNA) where: Base-Base interactions energy: -74.918 where: short stacking energy: -53.017 Base-Backbone interact. energy: -0.156 local terms energy: -53.075491 where: bonds (distance) C4'-P energy: -12.574 bonds (distance) P-C4' energy: -10.635 flat angles C4'-P-C4' energy: -12.017 flat angles P-C4'-P energy: -7.456 tors. eta vs tors. theta energy: -10.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -89.951726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.951726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.951726 (E_RNA) where: Base-Base interactions energy: -37.917 where: short stacking energy: -33.506 Base-Backbone interact. energy: -0.170 local terms energy: -51.865611 where: bonds (distance) C4'-P energy: -14.197 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -11.443 flat angles P-C4'-P energy: -9.712 tors. eta vs tors. theta energy: -2.358 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: 4 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -106.043741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.043741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.043741 (E_RNA) where: Base-Base interactions energy: -57.953 where: short stacking energy: -31.799 Base-Backbone interact. energy: 1.118 local terms energy: -49.208384 where: bonds (distance) C4'-P energy: -12.434 bonds (distance) P-C4' energy: -11.697 flat angles C4'-P-C4' energy: -15.681 flat angles P-C4'-P energy: -7.010 tors. eta vs tors. theta energy: -2.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -75.742187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.742187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.742187 (E_RNA) where: Base-Base interactions energy: -24.118 where: short stacking energy: -24.118 Base-Backbone interact. energy: -0.373 local terms energy: -51.251848 where: bonds (distance) C4'-P energy: -14.702 bonds (distance) P-C4' energy: -15.209 flat angles C4'-P-C4' energy: -9.272 flat angles P-C4'-P energy: -8.987 tors. eta vs tors. theta energy: -3.081 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: 1 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -79.686082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.686082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.686082 (E_RNA) where: Base-Base interactions energy: -36.919 where: short stacking energy: -34.749 Base-Backbone interact. energy: -0.225 local terms energy: -42.541149 where: bonds (distance) C4'-P energy: -12.745 bonds (distance) P-C4' energy: -8.277 flat angles C4'-P-C4' energy: -4.370 flat angles P-C4'-P energy: -10.847 tors. eta vs tors. theta energy: -6.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -68.408001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.408001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.408001 (E_RNA) where: Base-Base interactions energy: -20.977 where: short stacking energy: -14.653 Base-Backbone interact. energy: -0.251 local terms energy: -47.180084 where: bonds (distance) C4'-P energy: -10.269 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -11.934 flat angles P-C4'-P energy: -8.975 tors. eta vs tors. theta energy: -1.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -165.696723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.696723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.696723 (E_RNA) where: Base-Base interactions energy: -100.144 where: short stacking energy: -66.004 Base-Backbone interact. energy: -0.013 local terms energy: -65.540300 where: bonds (distance) C4'-P energy: -11.795 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -14.898 flat angles P-C4'-P energy: -6.398 tors. eta vs tors. theta energy: -16.246 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: 2, replica: 8 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -162.336094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.336094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.336094 (E_RNA) where: Base-Base interactions energy: -97.778 where: short stacking energy: -63.542 Base-Backbone interact. energy: 0.966 local terms energy: -65.524212 where: bonds (distance) C4'-P energy: -13.022 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -12.342 flat angles P-C4'-P energy: -9.431 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: 3, replica: 2 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -137.620253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.620253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.620253 (E_RNA) where: Base-Base interactions energy: -81.846 where: short stacking energy: -55.086 Base-Backbone interact. energy: -0.019 local terms energy: -55.755754 where: bonds (distance) C4'-P energy: -14.305 bonds (distance) P-C4' energy: -15.087 flat angles C4'-P-C4' energy: -12.581 flat angles P-C4'-P energy: -4.944 tors. eta vs tors. theta energy: -8.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -139.201955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.201955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.201955 (E_RNA) where: Base-Base interactions energy: -82.280 where: short stacking energy: -54.472 Base-Backbone interact. energy: -0.097 local terms energy: -56.825608 where: bonds (distance) C4'-P energy: -11.735 bonds (distance) P-C4' energy: -13.482 flat angles C4'-P-C4' energy: -11.834 flat angles P-C4'-P energy: -10.036 tors. eta vs tors. theta energy: -9.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -93.559395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.559395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.559395 (E_RNA) where: Base-Base interactions energy: -46.621 where: short stacking energy: -33.609 Base-Backbone interact. energy: -0.066 local terms energy: -46.872139 where: bonds (distance) C4'-P energy: -10.422 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -9.065 flat angles P-C4'-P energy: -9.353 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: 6, replica: 10 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -115.918622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.918622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.918622 (E_RNA) where: Base-Base interactions energy: -57.695 where: short stacking energy: -46.128 Base-Backbone interact. energy: -0.036 local terms energy: -58.187305 where: bonds (distance) C4'-P energy: -15.009 bonds (distance) P-C4' energy: -12.454 flat angles C4'-P-C4' energy: -13.137 flat angles P-C4'-P energy: -6.728 tors. eta vs tors. theta energy: -10.860 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: 7, replica: 9 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -87.576403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.576403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.576403 (E_RNA) where: Base-Base interactions energy: -41.911 where: short stacking energy: -30.163 Base-Backbone interact. energy: -0.117 local terms energy: -45.548387 where: bonds (distance) C4'-P energy: -13.552 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -7.904 flat angles P-C4'-P energy: -5.170 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: 8, replica: 4 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -84.043649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.043649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.043649 (E_RNA) where: Base-Base interactions energy: -38.669 where: short stacking energy: -38.669 Base-Backbone interact. energy: -0.034 local terms energy: -45.340647 where: bonds (distance) C4'-P energy: -4.707 bonds (distance) P-C4' energy: -14.783 flat angles C4'-P-C4' energy: -10.180 flat angles P-C4'-P energy: -7.210 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: 9, replica: 5 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -78.707307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.707307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.707307 (E_RNA) where: Base-Base interactions energy: -38.526 where: short stacking energy: -33.782 Base-Backbone interact. energy: -0.193 local terms energy: -39.988473 where: bonds (distance) C4'-P energy: -6.582 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -9.675 flat angles P-C4'-P energy: -6.232 tors. eta vs tors. theta energy: -2.611 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: 1 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -71.710351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.710351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.710351 (E_RNA) where: Base-Base interactions energy: -27.392 where: short stacking energy: -27.392 Base-Backbone interact. energy: 0.149 local terms energy: -44.467221 where: bonds (distance) C4'-P energy: -12.919 bonds (distance) P-C4' energy: -12.182 flat angles C4'-P-C4' energy: -9.515 flat angles P-C4'-P energy: -7.689 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: 1, replica: 6 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -163.558441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.558441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.558441 (E_RNA) where: Base-Base interactions energy: -101.580 where: short stacking energy: -65.316 Base-Backbone interact. energy: -0.003 local terms energy: -61.975309 where: bonds (distance) C4'-P energy: -12.335 bonds (distance) P-C4' energy: -13.440 flat angles C4'-P-C4' energy: -12.488 flat angles P-C4'-P energy: -7.816 tors. eta vs tors. theta energy: -15.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -160.280766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.280766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.280766 (E_RNA) where: Base-Base interactions energy: -95.056 where: short stacking energy: -59.644 Base-Backbone interact. energy: 0.758 local terms energy: -65.983342 where: bonds (distance) C4'-P energy: -13.195 bonds (distance) P-C4' energy: -13.915 flat angles C4'-P-C4' energy: -14.135 flat angles P-C4'-P energy: -8.936 tors. eta vs tors. theta energy: -15.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -138.871475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.871475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.871475 (E_RNA) where: Base-Base interactions energy: -87.848 where: short stacking energy: -42.914 Base-Backbone interact. energy: -1.269 local terms energy: -49.754081 where: bonds (distance) C4'-P energy: -14.578 bonds (distance) P-C4' energy: -12.913 flat angles C4'-P-C4' energy: -13.130 flat angles P-C4'-P energy: 0.577 tors. eta vs tors. theta energy: -9.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -147.618247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.618247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.618247 (E_RNA) where: Base-Base interactions energy: -92.363 where: short stacking energy: -62.058 Base-Backbone interact. energy: -0.108 local terms energy: -55.147159 where: bonds (distance) C4'-P energy: -11.743 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -12.289 flat angles P-C4'-P energy: -5.265 tors. eta vs tors. theta energy: -11.208 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: 5, replica: 3 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -87.943290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.943290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.943290 (E_RNA) where: Base-Base interactions energy: -40.751 where: short stacking energy: -40.087 Base-Backbone interact. energy: -0.146 local terms energy: -47.046425 where: bonds (distance) C4'-P energy: -8.750 bonds (distance) P-C4' energy: -14.498 flat angles C4'-P-C4' energy: -10.494 flat angles P-C4'-P energy: -5.321 tors. eta vs tors. theta energy: -7.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -85.257844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.257844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.257844 (E_RNA) where: Base-Base interactions energy: -37.789 where: short stacking energy: -36.205 Base-Backbone interact. energy: -0.204 local terms energy: -47.265671 where: bonds (distance) C4'-P energy: -12.811 bonds (distance) P-C4' energy: -11.900 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -6.484 tors. eta vs tors. theta energy: -8.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -104.112583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.112583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.112583 (E_RNA) where: Base-Base interactions energy: -63.358 where: short stacking energy: -43.195 Base-Backbone interact. energy: -0.103 local terms energy: -40.651301 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -6.740 flat angles C4'-P-C4' energy: -10.811 flat angles P-C4'-P energy: -9.380 tors. eta vs tors. theta energy: -5.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -90.660522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.660522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.660522 (E_RNA) where: Base-Base interactions energy: -40.062 where: short stacking energy: -40.062 Base-Backbone interact. energy: -0.115 local terms energy: -50.483316 where: bonds (distance) C4'-P energy: -11.494 bonds (distance) P-C4' energy: -10.053 flat angles C4'-P-C4' energy: -11.979 flat angles P-C4'-P energy: -7.582 tors. eta vs tors. theta energy: -9.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -75.380522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.380522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.380522 (E_RNA) where: Base-Base interactions energy: -29.433 where: short stacking energy: -24.123 Base-Backbone interact. energy: -0.040 local terms energy: -45.907770 where: bonds (distance) C4'-P energy: -9.995 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -10.088 flat angles P-C4'-P energy: -5.209 tors. eta vs tors. theta energy: -5.089 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: 10, replica: 1 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -68.183213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.183213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.183213 (E_RNA) where: Base-Base interactions energy: -25.461 where: short stacking energy: -22.305 Base-Backbone interact. energy: 0.799 local terms energy: -43.521356 where: bonds (distance) C4'-P energy: -11.772 bonds (distance) P-C4' energy: -14.022 flat angles C4'-P-C4' energy: -11.292 flat angles P-C4'-P energy: -6.393 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: 1, replica: 8 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -155.342365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.342365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.342365 (E_RNA) where: Base-Base interactions energy: -92.417 where: short stacking energy: -56.132 Base-Backbone interact. energy: -0.094 local terms energy: -62.831461 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -12.522 flat angles P-C4'-P energy: -3.388 tors. eta vs tors. theta energy: -16.153 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: 2, replica: 6 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -158.219280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.219280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.219280 (E_RNA) where: Base-Base interactions energy: -92.799 where: short stacking energy: -61.791 Base-Backbone interact. energy: -0.370 local terms energy: -65.050215 where: bonds (distance) C4'-P energy: -14.185 bonds (distance) P-C4' energy: -12.706 flat angles C4'-P-C4' energy: -15.623 flat angles P-C4'-P energy: -10.298 tors. eta vs tors. theta energy: -12.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -141.660225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.660225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.660225 (E_RNA) where: Base-Base interactions energy: -85.047 where: short stacking energy: -44.999 Base-Backbone interact. energy: -0.234 local terms energy: -56.379519 where: bonds (distance) C4'-P energy: -11.014 bonds (distance) P-C4' energy: -14.262 flat angles C4'-P-C4' energy: -13.983 flat angles P-C4'-P energy: -8.053 tors. eta vs tors. theta energy: -9.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -152.931293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.931293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.931293 (E_RNA) where: Base-Base interactions energy: -94.328 where: short stacking energy: -58.936 Base-Backbone interact. energy: -0.001 local terms energy: -58.601879 where: bonds (distance) C4'-P energy: -15.287 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -12.464 flat angles P-C4'-P energy: -3.938 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: 5, replica: 9 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -94.295990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.295990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.295990 (E_RNA) where: Base-Base interactions energy: -44.246 where: short stacking energy: -43.294 Base-Backbone interact. energy: -0.049 local terms energy: -50.001005 where: bonds (distance) C4'-P energy: -13.001 bonds (distance) P-C4' energy: -12.986 flat angles C4'-P-C4' energy: -10.996 flat angles P-C4'-P energy: -7.107 tors. eta vs tors. theta energy: -5.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -112.146847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.146847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.146847 (E_RNA) where: Base-Base interactions energy: -60.882 where: short stacking energy: -48.339 Base-Backbone interact. energy: -1.723 local terms energy: -49.542018 where: bonds (distance) C4'-P energy: -9.176 bonds (distance) P-C4' energy: -11.528 flat angles C4'-P-C4' energy: -14.042 flat angles P-C4'-P energy: -4.498 tors. eta vs tors. theta energy: -10.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -84.537115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.537115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.537115 (E_RNA) where: Base-Base interactions energy: -32.797 where: short stacking energy: -32.797 Base-Backbone interact. energy: -0.089 local terms energy: -51.651819 where: bonds (distance) C4'-P energy: -13.233 bonds (distance) P-C4' energy: -12.867 flat angles C4'-P-C4' energy: -10.522 flat angles P-C4'-P energy: -10.138 tors. eta vs tors. theta energy: -4.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -85.486459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.486459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.486459 (E_RNA) where: Base-Base interactions energy: -46.238 where: short stacking energy: -41.658 Base-Backbone interact. energy: -0.083 local terms energy: -39.165803 where: bonds (distance) C4'-P energy: -11.736 bonds (distance) P-C4' energy: -7.583 flat angles C4'-P-C4' energy: -7.475 flat angles P-C4'-P energy: -6.076 tors. eta vs tors. theta energy: -6.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -80.808204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.808204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.808204 (E_RNA) where: Base-Base interactions energy: -33.100 where: short stacking energy: -33.100 Base-Backbone interact. energy: -0.020 local terms energy: -47.688566 where: bonds (distance) C4'-P energy: -11.999 bonds (distance) P-C4' energy: -14.488 flat angles C4'-P-C4' energy: -10.753 flat angles P-C4'-P energy: -5.113 tors. eta vs tors. theta energy: -5.336 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: 4 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -77.826157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.826157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.826157 (E_RNA) where: Base-Base interactions energy: -31.354 where: short stacking energy: -24.236 Base-Backbone interact. energy: -0.025 local terms energy: -46.447060 where: bonds (distance) C4'-P energy: -10.264 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -8.415 flat angles P-C4'-P energy: -8.259 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: 1, replica: 8 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -161.084494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.084494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.084494 (E_RNA) where: Base-Base interactions energy: -99.535 where: short stacking energy: -64.169 Base-Backbone interact. energy: -0.038 local terms energy: -61.510943 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -12.578 flat angles C4'-P-C4' energy: -10.541 flat angles P-C4'-P energy: -10.823 tors. eta vs tors. theta energy: -14.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -156.862198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.862198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.862198 (E_RNA) where: Base-Base interactions energy: -100.293 where: short stacking energy: -62.910 Base-Backbone interact. energy: -0.060 local terms energy: -56.509202 where: bonds (distance) C4'-P energy: -12.596 bonds (distance) P-C4' energy: -12.484 flat angles C4'-P-C4' energy: -13.204 flat angles P-C4'-P energy: -8.124 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: 2 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -153.528957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.528957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.528957 (E_RNA) where: Base-Base interactions energy: -92.762 where: short stacking energy: -60.678 Base-Backbone interact. energy: -0.751 local terms energy: -60.016302 where: bonds (distance) C4'-P energy: -10.191 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -12.409 flat angles P-C4'-P energy: -8.851 tors. eta vs tors. theta energy: -15.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -140.485042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.485042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.485042 (E_RNA) where: Base-Base interactions energy: -84.821 where: short stacking energy: -51.830 Base-Backbone interact. energy: -0.203 local terms energy: -55.461332 where: bonds (distance) C4'-P energy: -15.207 bonds (distance) P-C4' energy: -11.848 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -11.251 tors. eta vs tors. theta energy: -10.896 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: 9 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -102.583504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.583504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.583504 (E_RNA) where: Base-Base interactions energy: -57.040 where: short stacking energy: -57.040 Base-Backbone interact. energy: -0.438 local terms energy: -45.105863 where: bonds (distance) C4'-P energy: -8.961 bonds (distance) P-C4' energy: -10.133 flat angles C4'-P-C4' energy: -12.350 flat angles P-C4'-P energy: -6.251 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: 6, replica: 3 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -90.234399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.234399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.234399 (E_RNA) where: Base-Base interactions energy: -34.568 where: short stacking energy: -33.216 Base-Backbone interact. energy: -0.018 local terms energy: -55.647984 where: bonds (distance) C4'-P energy: -9.389 bonds (distance) P-C4' energy: -13.858 flat angles C4'-P-C4' energy: -13.228 flat angles P-C4'-P energy: -9.285 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: 7, replica: 5 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -89.269583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.269583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.269583 (E_RNA) where: Base-Base interactions energy: -38.419 where: short stacking energy: -35.675 Base-Backbone interact. energy: -0.151 local terms energy: -50.699729 where: bonds (distance) C4'-P energy: -11.195 bonds (distance) P-C4' energy: -16.010 flat angles C4'-P-C4' energy: -12.282 flat angles P-C4'-P energy: -7.807 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: 8, replica: 1 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -78.479647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.479647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.479647 (E_RNA) where: Base-Base interactions energy: -34.215 where: short stacking energy: -28.989 Base-Backbone interact. energy: -0.258 local terms energy: -44.006431 where: bonds (distance) C4'-P energy: -9.921 bonds (distance) P-C4' energy: -12.845 flat angles C4'-P-C4' energy: -5.982 flat angles P-C4'-P energy: -11.354 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: 9, replica: 10 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -74.119746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.119746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.119746 (E_RNA) where: Base-Base interactions energy: -32.356 where: short stacking energy: -31.303 Base-Backbone interact. energy: -0.064 local terms energy: -41.700173 where: bonds (distance) C4'-P energy: -12.712 bonds (distance) P-C4' energy: -14.699 flat angles C4'-P-C4' energy: -7.129 flat angles P-C4'-P energy: -6.005 tors. eta vs tors. theta energy: -1.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -73.302774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.302774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.302774 (E_RNA) where: Base-Base interactions energy: -28.159 where: short stacking energy: -17.438 Base-Backbone interact. energy: 1.076 local terms energy: -46.220701 where: bonds (distance) C4'-P energy: -10.658 bonds (distance) P-C4' energy: -15.209 flat angles C4'-P-C4' energy: -12.971 flat angles P-C4'-P energy: -5.842 tors. eta vs tors. theta energy: -1.541 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: 6 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -171.859226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.859226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.859226 (E_RNA) where: Base-Base interactions energy: -106.479 where: short stacking energy: -65.189 Base-Backbone interact. energy: -0.435 local terms energy: -64.946075 where: bonds (distance) C4'-P energy: -10.356 bonds (distance) P-C4' energy: -12.492 flat angles C4'-P-C4' energy: -15.368 flat angles P-C4'-P energy: -8.658 tors. eta vs tors. theta energy: -18.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -139.853914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.853914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.853914 (E_RNA) where: Base-Base interactions energy: -84.322 where: short stacking energy: -43.888 Base-Backbone interact. energy: -0.427 local terms energy: -55.104790 where: bonds (distance) C4'-P energy: -12.334 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -12.038 flat angles P-C4'-P energy: -9.365 tors. eta vs tors. theta energy: -8.529 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: 3, replica: 7 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -163.248645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.248645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.248645 (E_RNA) where: Base-Base interactions energy: -99.095 where: short stacking energy: -63.486 Base-Backbone interact. energy: -0.001 local terms energy: -64.153151 where: bonds (distance) C4'-P energy: -15.187 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -14.289 flat angles P-C4'-P energy: -6.779 tors. eta vs tors. theta energy: -13.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -147.133219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.133219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.133219 (E_RNA) where: Base-Base interactions energy: -96.388 where: short stacking energy: -60.002 Base-Backbone interact. energy: -0.305 local terms energy: -50.439446 where: bonds (distance) C4'-P energy: -12.968 bonds (distance) P-C4' energy: -7.458 flat angles C4'-P-C4' energy: -10.074 flat angles P-C4'-P energy: -6.467 tors. eta vs tors. theta energy: -13.472 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: 3 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -104.905480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.905480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.905480 (E_RNA) where: Base-Base interactions energy: -47.323 where: short stacking energy: -41.592 Base-Backbone interact. energy: -0.086 local terms energy: -57.495808 where: bonds (distance) C4'-P energy: -11.754 bonds (distance) P-C4' energy: -12.370 flat angles C4'-P-C4' energy: -14.439 flat angles P-C4'-P energy: -10.110 tors. eta vs tors. theta energy: -8.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -101.932606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.932606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.932606 (E_RNA) where: Base-Base interactions energy: -50.268 where: short stacking energy: -41.350 Base-Backbone interact. energy: -0.374 local terms energy: -51.290466 where: bonds (distance) C4'-P energy: -9.676 bonds (distance) P-C4' energy: -11.912 flat angles C4'-P-C4' energy: -14.714 flat angles P-C4'-P energy: -8.388 tors. eta vs tors. theta energy: -6.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -81.124444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.124444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.124444 (E_RNA) where: Base-Base interactions energy: -36.653 where: short stacking energy: -36.653 Base-Backbone interact. energy: -0.113 local terms energy: -44.358127 where: bonds (distance) C4'-P energy: -13.473 bonds (distance) P-C4' energy: -12.544 flat angles C4'-P-C4' energy: -8.544 flat angles P-C4'-P energy: -6.954 tors. eta vs tors. theta energy: -2.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -83.025983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.025983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.025983 (E_RNA) where: Base-Base interactions energy: -37.342 where: short stacking energy: -37.342 Base-Backbone interact. energy: 0.763 local terms energy: -46.446434 where: bonds (distance) C4'-P energy: -12.069 bonds (distance) P-C4' energy: -12.109 flat angles C4'-P-C4' energy: -12.540 flat angles P-C4'-P energy: -6.790 tors. eta vs tors. theta energy: -2.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -104.589131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.589131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.589131 (E_RNA) where: Base-Base interactions energy: -63.762 where: short stacking energy: -41.390 Base-Backbone interact. energy: -0.112 local terms energy: -40.715859 where: bonds (distance) C4'-P energy: -8.799 bonds (distance) P-C4' energy: -11.041 flat angles C4'-P-C4' energy: -10.198 flat angles P-C4'-P energy: -6.720 tors. eta vs tors. theta energy: -3.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -78.535829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.535829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.535829 (E_RNA) where: Base-Base interactions energy: -35.000 where: short stacking energy: -22.859 Base-Backbone interact. energy: -0.086 local terms energy: -43.449950 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -13.664 flat angles P-C4'-P energy: -9.393 tors. eta vs tors. theta energy: 0.165 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: 453 Temperature: 0.900000 Total energy: -176.646179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.646179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.646179 (E_RNA) where: Base-Base interactions energy: -111.522 where: short stacking energy: -67.748 Base-Backbone interact. energy: -0.243 local terms energy: -64.881013 where: bonds (distance) C4'-P energy: -13.759 bonds (distance) P-C4' energy: -10.866 flat angles C4'-P-C4' energy: -14.165 flat angles P-C4'-P energy: -10.913 tors. eta vs tors. theta energy: -15.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -152.687397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.687397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.687397 (E_RNA) where: Base-Base interactions energy: -89.918 where: short stacking energy: -55.098 Base-Backbone interact. energy: -0.004 local terms energy: -62.765699 where: bonds (distance) C4'-P energy: -16.213 bonds (distance) P-C4' energy: -13.004 flat angles C4'-P-C4' energy: -13.244 flat angles P-C4'-P energy: -9.142 tors. eta vs tors. theta energy: -11.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -133.995394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.995394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.995394 (E_RNA) where: Base-Base interactions energy: -81.382 where: short stacking energy: -52.364 Base-Backbone interact. energy: -0.019 local terms energy: -52.593976 where: bonds (distance) C4'-P energy: -10.032 bonds (distance) P-C4' energy: -14.476 flat angles C4'-P-C4' energy: -12.727 flat angles P-C4'-P energy: -5.664 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: 4, replica: 2 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -132.896307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.896307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.896307 (E_RNA) where: Base-Base interactions energy: -73.596 where: short stacking energy: -48.068 Base-Backbone interact. energy: -0.666 local terms energy: -58.634402 where: bonds (distance) C4'-P energy: -15.029 bonds (distance) P-C4' energy: -13.030 flat angles C4'-P-C4' energy: -13.486 flat angles P-C4'-P energy: -6.979 tors. eta vs tors. theta energy: -10.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -95.376066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.376066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.376066 (E_RNA) where: Base-Base interactions energy: -49.594 where: short stacking energy: -38.023 Base-Backbone interact. energy: 0.922 local terms energy: -46.704272 where: bonds (distance) C4'-P energy: -11.795 bonds (distance) P-C4' energy: -10.128 flat angles C4'-P-C4' energy: -10.139 flat angles P-C4'-P energy: -6.313 tors. eta vs tors. theta energy: -8.328 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: 6, replica: 5 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -112.920367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.920367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.920367 (E_RNA) where: Base-Base interactions energy: -55.301 where: short stacking energy: -37.160 Base-Backbone interact. energy: -0.506 local terms energy: -57.112963 where: bonds (distance) C4'-P energy: -13.357 bonds (distance) P-C4' energy: -14.936 flat angles C4'-P-C4' energy: -12.381 flat angles P-C4'-P energy: -8.346 tors. eta vs tors. theta energy: -8.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -93.201983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.201983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.201983 (E_RNA) where: Base-Base interactions energy: -45.497 where: short stacking energy: -41.275 Base-Backbone interact. energy: 1.647 local terms energy: -49.352088 where: bonds (distance) C4'-P energy: -10.712 bonds (distance) P-C4' energy: -11.992 flat angles C4'-P-C4' energy: -14.002 flat angles P-C4'-P energy: -9.385 tors. eta vs tors. theta energy: -3.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -121.941051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.941051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.941051 (E_RNA) where: Base-Base interactions energy: -68.101 where: short stacking energy: -41.157 Base-Backbone interact. energy: -0.097 local terms energy: -53.743591 where: bonds (distance) C4'-P energy: -11.527 bonds (distance) P-C4' energy: -12.286 flat angles C4'-P-C4' energy: -13.589 flat angles P-C4'-P energy: -10.015 tors. eta vs tors. theta energy: -6.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -92.289343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.289343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.289343 (E_RNA) where: Base-Base interactions energy: -39.267 where: short stacking energy: -38.149 Base-Backbone interact. energy: -0.045 local terms energy: -52.976517 where: bonds (distance) C4'-P energy: -11.084 bonds (distance) P-C4' energy: -9.572 flat angles C4'-P-C4' energy: -13.686 flat angles P-C4'-P energy: -10.174 tors. eta vs tors. theta energy: -8.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -78.768742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.768742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.768742 (E_RNA) where: Base-Base interactions energy: -35.754 where: short stacking energy: -35.754 Base-Backbone interact. energy: 1.724 local terms energy: -44.738173 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -10.196 flat angles P-C4'-P energy: -6.120 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: 1, replica: 6 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -167.961787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.961787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.961787 (E_RNA) where: Base-Base interactions energy: -105.236 where: short stacking energy: -60.384 Base-Backbone interact. energy: -1.365 local terms energy: -61.360860 where: bonds (distance) C4'-P energy: -11.733 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -12.395 flat angles P-C4'-P energy: -8.611 tors. eta vs tors. theta energy: -14.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -152.243997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.243997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.243997 (E_RNA) where: Base-Base interactions energy: -86.294 where: short stacking energy: -53.644 Base-Backbone interact. energy: -0.973 local terms energy: -64.977012 where: bonds (distance) C4'-P energy: -13.944 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -14.268 flat angles P-C4'-P energy: -8.990 tors. eta vs tors. theta energy: -14.076 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: 8 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -151.603443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.603443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.603443 (E_RNA) where: Base-Base interactions energy: -91.073 where: short stacking energy: -54.606 Base-Backbone interact. energy: 0.005 local terms energy: -60.535060 where: bonds (distance) C4'-P energy: -10.426 bonds (distance) P-C4' energy: -14.691 flat angles C4'-P-C4' energy: -13.920 flat angles P-C4'-P energy: -9.685 tors. eta vs tors. theta energy: -11.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -137.049843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.049843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.049843 (E_RNA) where: Base-Base interactions energy: -80.949 where: short stacking energy: -48.549 Base-Backbone interact. energy: -0.095 local terms energy: -56.006102 where: bonds (distance) C4'-P energy: -13.700 bonds (distance) P-C4' energy: -9.872 flat angles C4'-P-C4' energy: -12.229 flat angles P-C4'-P energy: -9.242 tors. eta vs tors. theta energy: -10.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -106.624185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.624185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.624185 (E_RNA) where: Base-Base interactions energy: -54.196 where: short stacking energy: -49.899 Base-Backbone interact. energy: -0.004 local terms energy: -52.424142 where: bonds (distance) C4'-P energy: -9.805 bonds (distance) P-C4' energy: -10.963 flat angles C4'-P-C4' energy: -13.667 flat angles P-C4'-P energy: -7.197 tors. eta vs tors. theta energy: -10.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -100.930088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.930088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.930088 (E_RNA) where: Base-Base interactions energy: -44.041 where: short stacking energy: -43.615 Base-Backbone interact. energy: -0.347 local terms energy: -56.542249 where: bonds (distance) C4'-P energy: -10.943 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -13.610 flat angles P-C4'-P energy: -11.898 tors. eta vs tors. theta energy: -10.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -115.132512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.132512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.132512 (E_RNA) where: Base-Base interactions energy: -71.226 where: short stacking energy: -48.582 Base-Backbone interact. energy: -0.010 local terms energy: -43.897099 where: bonds (distance) C4'-P energy: -8.708 bonds (distance) P-C4' energy: -8.795 flat angles C4'-P-C4' energy: -13.200 flat angles P-C4'-P energy: -6.032 tors. eta vs tors. theta energy: -7.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -113.001320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.001320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.001320 (E_RNA) where: Base-Base interactions energy: -59.064 where: short stacking energy: -59.064 Base-Backbone interact. energy: -0.001 local terms energy: -53.935882 where: bonds (distance) C4'-P energy: -11.808 bonds (distance) P-C4' energy: -9.503 flat angles C4'-P-C4' energy: -11.843 flat angles P-C4'-P energy: -9.081 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: 9, replica: 10 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -84.437866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.437866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.437866 (E_RNA) where: Base-Base interactions energy: -37.878 where: short stacking energy: -36.141 Base-Backbone interact. energy: -0.191 local terms energy: -46.368883 where: bonds (distance) C4'-P energy: -12.504 bonds (distance) P-C4' energy: -11.525 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -9.650 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: 10, replica: 1 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -80.646512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.646512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.646512 (E_RNA) where: Base-Base interactions energy: -36.045 where: short stacking energy: -32.216 Base-Backbone interact. energy: -0.149 local terms energy: -44.452714 where: bonds (distance) C4'-P energy: -8.933 bonds (distance) P-C4' energy: -15.792 flat angles C4'-P-C4' energy: -14.227 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -2.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -164.659226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.659226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.659226 (E_RNA) where: Base-Base interactions energy: -102.719 where: short stacking energy: -51.291 Base-Backbone interact. energy: -0.788 local terms energy: -61.152212 where: bonds (distance) C4'-P energy: -13.390 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -12.497 flat angles P-C4'-P energy: -8.117 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: 8 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -163.085725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.085725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.085725 (E_RNA) where: Base-Base interactions energy: -98.083 where: short stacking energy: -66.759 Base-Backbone interact. energy: -0.008 local terms energy: -64.995269 where: bonds (distance) C4'-P energy: -13.329 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -13.600 flat angles P-C4'-P energy: -6.782 tors. eta vs tors. theta energy: -17.119 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: 7 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -161.001368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.001368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.001368 (E_RNA) where: Base-Base interactions energy: -101.397 where: short stacking energy: -59.405 Base-Backbone interact. energy: -0.013 local terms energy: -59.591338 where: bonds (distance) C4'-P energy: -13.337 bonds (distance) P-C4' energy: -6.212 flat angles C4'-P-C4' energy: -15.727 flat angles P-C4'-P energy: -11.115 tors. eta vs tors. theta energy: -13.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -137.055536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.055536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.055536 (E_RNA) where: Base-Base interactions energy: -84.350 where: short stacking energy: -52.069 Base-Backbone interact. energy: -0.027 local terms energy: -52.678783 where: bonds (distance) C4'-P energy: -10.583 bonds (distance) P-C4' energy: -12.110 flat angles C4'-P-C4' energy: -10.820 flat angles P-C4'-P energy: -11.334 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: 5, replica: 5 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -89.664171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.664171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.664171 (E_RNA) where: Base-Base interactions energy: -36.615 where: short stacking energy: -34.323 Base-Backbone interact. energy: 0.405 local terms energy: -53.454004 where: bonds (distance) C4'-P energy: -11.544 bonds (distance) P-C4' energy: -13.538 flat angles C4'-P-C4' energy: -13.382 flat angles P-C4'-P energy: -10.216 tors. eta vs tors. theta energy: -4.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -119.917087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.917087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.917087 (E_RNA) where: Base-Base interactions energy: -69.611 where: short stacking energy: -37.023 Base-Backbone interact. energy: -0.088 local terms energy: -50.217594 where: bonds (distance) C4'-P energy: -10.840 bonds (distance) P-C4' energy: -11.167 flat angles C4'-P-C4' energy: -12.533 flat angles P-C4'-P energy: -9.346 tors. eta vs tors. theta energy: -6.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -121.153225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.153225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.153225 (E_RNA) where: Base-Base interactions energy: -69.612 where: short stacking energy: -39.289 Base-Backbone interact. energy: -0.706 local terms energy: -50.836156 where: bonds (distance) C4'-P energy: -10.568 bonds (distance) P-C4' energy: -10.915 flat angles C4'-P-C4' energy: -10.327 flat angles P-C4'-P energy: -9.326 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: 8, replica: 9 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -85.335215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.335215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.335215 (E_RNA) where: Base-Base interactions energy: -38.649 where: short stacking energy: -32.938 Base-Backbone interact. energy: -0.315 local terms energy: -46.371811 where: bonds (distance) C4'-P energy: -12.190 bonds (distance) P-C4' energy: -12.828 flat angles C4'-P-C4' energy: -11.322 flat angles P-C4'-P energy: -6.283 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: 9, replica: 10 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -71.596129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.596129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.596129 (E_RNA) where: Base-Base interactions energy: -28.401 where: short stacking energy: -28.401 Base-Backbone interact. energy: -0.023 local terms energy: -43.172104 where: bonds (distance) C4'-P energy: -12.318 bonds (distance) P-C4' energy: -7.017 flat angles C4'-P-C4' energy: -9.628 flat angles P-C4'-P energy: -8.832 tors. eta vs tors. theta energy: -5.377 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: 1 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -101.481628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.481628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.481628 (E_RNA) where: Base-Base interactions energy: -52.138 where: short stacking energy: -51.233 Base-Backbone interact. energy: -0.000 local terms energy: -49.343574 where: bonds (distance) C4'-P energy: -9.151 bonds (distance) P-C4' energy: -10.708 flat angles C4'-P-C4' energy: -9.193 flat angles P-C4'-P energy: -9.183 tors. eta vs tors. theta energy: -11.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -167.667848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.667848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.667848 (E_RNA) where: Base-Base interactions energy: -102.207 where: short stacking energy: -63.672 Base-Backbone interact. energy: -0.342 local terms energy: -65.118696 where: bonds (distance) C4'-P energy: -12.707 bonds (distance) P-C4' energy: -14.113 flat angles C4'-P-C4' energy: -11.391 flat angles P-C4'-P energy: -8.740 tors. eta vs tors. theta energy: -18.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -145.390558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.390558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.390558 (E_RNA) where: Base-Base interactions energy: -82.963 where: short stacking energy: -51.059 Base-Backbone interact. energy: -0.009 local terms energy: -62.418358 where: bonds (distance) C4'-P energy: -14.608 bonds (distance) P-C4' energy: -13.645 flat angles C4'-P-C4' energy: -14.803 flat angles P-C4'-P energy: -9.221 tors. eta vs tors. theta energy: -10.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -160.174090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.174090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.174090 (E_RNA) where: Base-Base interactions energy: -102.672 where: short stacking energy: -57.718 Base-Backbone interact. energy: -0.196 local terms energy: -57.305540 where: bonds (distance) C4'-P energy: -13.543 bonds (distance) P-C4' energy: -13.205 flat angles C4'-P-C4' energy: -12.495 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -13.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -131.048443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.048443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.048443 (E_RNA) where: Base-Base interactions energy: -79.892 where: short stacking energy: -50.783 Base-Backbone interact. energy: -0.005 local terms energy: -51.151202 where: bonds (distance) C4'-P energy: -12.355 bonds (distance) P-C4' energy: -7.394 flat angles C4'-P-C4' energy: -11.537 flat angles P-C4'-P energy: -8.984 tors. eta vs tors. theta energy: -10.881 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: 4 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -134.396131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.396131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.396131 (E_RNA) where: Base-Base interactions energy: -85.845 where: short stacking energy: -56.739 Base-Backbone interact. energy: -0.062 local terms energy: -48.489485 where: bonds (distance) C4'-P energy: -9.113 bonds (distance) P-C4' energy: -9.307 flat angles C4'-P-C4' energy: -10.074 flat angles P-C4'-P energy: -7.091 tors. eta vs tors. theta energy: -12.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -86.951656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.951656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.951656 (E_RNA) where: Base-Base interactions energy: -43.623 where: short stacking energy: -42.334 Base-Backbone interact. energy: -0.186 local terms energy: -43.142656 where: bonds (distance) C4'-P energy: -1.759 bonds (distance) P-C4' energy: -13.677 flat angles C4'-P-C4' energy: -12.973 flat angles P-C4'-P energy: -8.036 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: 7, replica: 3 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -124.946221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.946221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.946221 (E_RNA) where: Base-Base interactions energy: -69.561 where: short stacking energy: -43.794 Base-Backbone interact. energy: -0.502 local terms energy: -54.883537 where: bonds (distance) C4'-P energy: -12.256 bonds (distance) P-C4' energy: -12.447 flat angles C4'-P-C4' energy: -10.752 flat angles P-C4'-P energy: -7.164 tors. eta vs tors. theta energy: -12.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -82.862252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.862252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.862252 (E_RNA) where: Base-Base interactions energy: -35.353 where: short stacking energy: -35.353 Base-Backbone interact. energy: -0.041 local terms energy: -47.467672 where: bonds (distance) C4'-P energy: -7.392 bonds (distance) P-C4' energy: -9.105 flat angles C4'-P-C4' energy: -9.982 flat angles P-C4'-P energy: -11.447 tors. eta vs tors. theta energy: -9.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -81.685146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.685146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.685146 (E_RNA) where: Base-Base interactions energy: -33.011 where: short stacking energy: -33.011 Base-Backbone interact. energy: 1.986 local terms energy: -50.660563 where: bonds (distance) C4'-P energy: -11.367 bonds (distance) P-C4' energy: -14.689 flat angles C4'-P-C4' energy: -12.895 flat angles P-C4'-P energy: -7.602 tors. eta vs tors. theta energy: -4.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -73.552191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.552191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.552191 (E_RNA) where: Base-Base interactions energy: -31.160 where: short stacking energy: -28.253 Base-Backbone interact. energy: -0.169 local terms energy: -42.223066 where: bonds (distance) C4'-P energy: -14.359 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -8.573 flat angles P-C4'-P energy: -5.593 tors. eta vs tors. theta energy: -0.198 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: 457 Temperature: 0.900000 Total energy: -152.493771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.493771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.493771 (E_RNA) where: Base-Base interactions energy: -89.164 where: short stacking energy: -55.895 Base-Backbone interact. energy: -0.001 local terms energy: -63.329328 where: bonds (distance) C4'-P energy: -14.136 bonds (distance) P-C4' energy: -13.422 flat angles C4'-P-C4' energy: -13.118 flat angles P-C4'-P energy: -8.763 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: 2 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -150.050107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.050107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.050107 (E_RNA) where: Base-Base interactions energy: -86.708 where: short stacking energy: -55.890 Base-Backbone interact. energy: -0.006 local terms energy: -63.336257 where: bonds (distance) C4'-P energy: -12.711 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -14.632 flat angles P-C4'-P energy: -11.651 tors. eta vs tors. theta energy: -8.808 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: 8 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -150.731771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.731771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.731771 (E_RNA) where: Base-Base interactions energy: -92.381 where: short stacking energy: -57.107 Base-Backbone interact. energy: -0.004 local terms energy: -58.347532 where: bonds (distance) C4'-P energy: -11.930 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -10.552 flat angles P-C4'-P energy: -6.579 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: 4, replica: 7 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -136.129403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.129403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.129403 (E_RNA) where: Base-Base interactions energy: -84.150 where: short stacking energy: -49.252 Base-Backbone interact. energy: -0.180 local terms energy: -51.798847 where: bonds (distance) C4'-P energy: -8.841 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -13.474 flat angles P-C4'-P energy: -6.555 tors. eta vs tors. theta energy: -8.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -126.989075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.989075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.989075 (E_RNA) where: Base-Base interactions energy: -73.868 where: short stacking energy: -45.746 Base-Backbone interact. energy: -0.153 local terms energy: -52.967561 where: bonds (distance) C4'-P energy: -12.070 bonds (distance) P-C4' energy: -14.997 flat angles C4'-P-C4' energy: -13.298 flat angles P-C4'-P energy: -5.021 tors. eta vs tors. theta energy: -7.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -129.507915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.507915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.507915 (E_RNA) where: Base-Base interactions energy: -82.467 where: short stacking energy: -48.662 Base-Backbone interact. energy: 0.039 local terms energy: -47.079887 where: bonds (distance) C4'-P energy: -10.061 bonds (distance) P-C4' energy: -13.438 flat angles C4'-P-C4' energy: -7.454 flat angles P-C4'-P energy: -7.117 tors. eta vs tors. theta energy: -9.011 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: 7, replica: 5 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -90.724945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.724945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.724945 (E_RNA) where: Base-Base interactions energy: -38.203 where: short stacking energy: -36.822 Base-Backbone interact. energy: -0.055 local terms energy: -52.466653 where: bonds (distance) C4'-P energy: -12.012 bonds (distance) P-C4' energy: -10.836 flat angles C4'-P-C4' energy: -11.872 flat angles P-C4'-P energy: -11.823 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: 8, replica: 1 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -87.320442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.320442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.320442 (E_RNA) where: Base-Base interactions energy: -41.410 where: short stacking energy: -25.975 Base-Backbone interact. energy: -0.617 local terms energy: -45.293176 where: bonds (distance) C4'-P energy: -12.758 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -10.354 flat angles P-C4'-P energy: -4.261 tors. eta vs tors. theta energy: -4.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -78.215645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.215645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.215645 (E_RNA) where: Base-Base interactions energy: -40.051 where: short stacking energy: -40.051 Base-Backbone interact. energy: 0.780 local terms energy: -38.944236 where: bonds (distance) C4'-P energy: -10.046 bonds (distance) P-C4' energy: -10.662 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -4.168 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: 10, replica: 10 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -73.996046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.996046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.996046 (E_RNA) where: Base-Base interactions energy: -37.967 where: short stacking energy: -37.967 Base-Backbone interact. energy: -0.581 local terms energy: -35.447446 where: bonds (distance) C4'-P energy: -8.290 bonds (distance) P-C4' energy: -8.561 flat angles C4'-P-C4' energy: -12.566 flat angles P-C4'-P energy: -1.691 tors. eta vs tors. theta energy: -4.341 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: 6 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -168.660190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.660190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.660190 (E_RNA) where: Base-Base interactions energy: -106.815 where: short stacking energy: -61.152 Base-Backbone interact. energy: 0.604 local terms energy: -62.449071 where: bonds (distance) C4'-P energy: -14.027 bonds (distance) P-C4' energy: -13.653 flat angles C4'-P-C4' energy: -9.715 flat angles P-C4'-P energy: -8.405 tors. eta vs tors. theta energy: -16.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -146.962845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.962845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.962845 (E_RNA) where: Base-Base interactions energy: -88.950 where: short stacking energy: -59.621 Base-Backbone interact. energy: 0.042 local terms energy: -58.055214 where: bonds (distance) C4'-P energy: -12.641 bonds (distance) P-C4' energy: -11.499 flat angles C4'-P-C4' energy: -9.817 flat angles P-C4'-P energy: -9.894 tors. eta vs tors. theta energy: -14.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -142.024407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.024407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.024407 (E_RNA) where: Base-Base interactions energy: -87.669 where: short stacking energy: -55.079 Base-Backbone interact. energy: -0.007 local terms energy: -54.348370 where: bonds (distance) C4'-P energy: -7.992 bonds (distance) P-C4' energy: -13.512 flat angles C4'-P-C4' energy: -12.964 flat angles P-C4'-P energy: -7.676 tors. eta vs tors. theta energy: -12.204 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: 7 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -132.213317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.213317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.213317 (E_RNA) where: Base-Base interactions energy: -81.218 where: short stacking energy: -52.607 Base-Backbone interact. energy: -0.027 local terms energy: -50.969196 where: bonds (distance) C4'-P energy: -10.584 bonds (distance) P-C4' energy: -12.243 flat angles C4'-P-C4' energy: -13.290 flat angles P-C4'-P energy: -7.845 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: 5, replica: 4 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -123.883722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.883722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.883722 (E_RNA) where: Base-Base interactions energy: -67.365 where: short stacking energy: -35.963 Base-Backbone interact. energy: -0.098 local terms energy: -56.420994 where: bonds (distance) C4'-P energy: -12.269 bonds (distance) P-C4' energy: -14.292 flat angles C4'-P-C4' energy: -14.250 flat angles P-C4'-P energy: -10.535 tors. eta vs tors. theta energy: -5.074 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: 3 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -123.407514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.407514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.407514 (E_RNA) where: Base-Base interactions energy: -74.763 where: short stacking energy: -46.542 Base-Backbone interact. energy: -0.013 local terms energy: -48.631746 where: bonds (distance) C4'-P energy: -6.372 bonds (distance) P-C4' energy: -9.774 flat angles C4'-P-C4' energy: -11.033 flat angles P-C4'-P energy: -9.639 tors. eta vs tors. theta energy: -11.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -94.492373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.492373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.492373 (E_RNA) where: Base-Base interactions energy: -44.220 where: short stacking energy: -35.153 Base-Backbone interact. energy: 0.722 local terms energy: -50.994178 where: bonds (distance) C4'-P energy: -9.247 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -11.401 flat angles P-C4'-P energy: -10.158 tors. eta vs tors. theta energy: -6.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -95.340222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.340222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.340222 (E_RNA) where: Base-Base interactions energy: -42.823 where: short stacking energy: -35.995 Base-Backbone interact. energy: -0.508 local terms energy: -52.008514 where: bonds (distance) C4'-P energy: -11.920 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -6.613 flat angles P-C4'-P energy: -9.723 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: 10 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -87.296194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.296194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.296194 (E_RNA) where: Base-Base interactions energy: -41.774 where: short stacking energy: -41.774 Base-Backbone interact. energy: -0.005 local terms energy: -45.516923 where: bonds (distance) C4'-P energy: -11.892 bonds (distance) P-C4' energy: -9.433 flat angles C4'-P-C4' energy: -12.677 flat angles P-C4'-P energy: -6.625 tors. eta vs tors. theta energy: -4.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -74.374016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.374016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.374016 (E_RNA) where: Base-Base interactions energy: -28.682 where: short stacking energy: -27.420 Base-Backbone interact. energy: -0.163 local terms energy: -45.529731 where: bonds (distance) C4'-P energy: -13.080 bonds (distance) P-C4' energy: -11.856 flat angles C4'-P-C4' energy: -8.165 flat angles P-C4'-P energy: -7.560 tors. eta vs tors. theta energy: -4.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -155.471585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.471585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.471585 (E_RNA) where: Base-Base interactions energy: -96.115 where: short stacking energy: -56.854 Base-Backbone interact. energy: -0.008 local terms energy: -59.348574 where: bonds (distance) C4'-P energy: -10.472 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -10.822 flat angles P-C4'-P energy: -12.199 tors. eta vs tors. theta energy: -11.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -157.569930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.569930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.569930 (E_RNA) where: Base-Base interactions energy: -95.879 where: short stacking energy: -58.088 Base-Backbone interact. energy: -0.102 local terms energy: -61.589287 where: bonds (distance) C4'-P energy: -14.277 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -12.036 flat angles P-C4'-P energy: -6.611 tors. eta vs tors. theta energy: -14.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -137.992260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.992260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.992260 (E_RNA) where: Base-Base interactions energy: -81.254 where: short stacking energy: -57.604 Base-Backbone interact. energy: -0.017 local terms energy: -56.720891 where: bonds (distance) C4'-P energy: -13.023 bonds (distance) P-C4' energy: -10.384 flat angles C4'-P-C4' energy: -13.513 flat angles P-C4'-P energy: -7.997 tors. eta vs tors. theta energy: -11.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -140.234666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.234666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.234666 (E_RNA) where: Base-Base interactions energy: -86.477 where: short stacking energy: -56.246 Base-Backbone interact. energy: -0.133 local terms energy: -53.624284 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -10.802 flat angles P-C4'-P energy: -8.190 tors. eta vs tors. theta energy: -13.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -137.440081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.440081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.440081 (E_RNA) where: Base-Base interactions energy: -76.977 where: short stacking energy: -50.757 Base-Backbone interact. energy: -0.308 local terms energy: -60.155235 where: bonds (distance) C4'-P energy: -12.202 bonds (distance) P-C4' energy: -13.587 flat angles C4'-P-C4' energy: -13.107 flat angles P-C4'-P energy: -10.826 tors. eta vs tors. theta energy: -10.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -126.541419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.541419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.541419 (E_RNA) where: Base-Base interactions energy: -75.628 where: short stacking energy: -52.984 Base-Backbone interact. energy: -0.033 local terms energy: -50.880689 where: bonds (distance) C4'-P energy: -11.879 bonds (distance) P-C4' energy: -11.661 flat angles C4'-P-C4' energy: -9.708 flat angles P-C4'-P energy: -5.310 tors. eta vs tors. theta energy: -12.323 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: 1 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -87.315215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.315215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.315215 (E_RNA) where: Base-Base interactions energy: -36.728 where: short stacking energy: -33.613 Base-Backbone interact. energy: 0.646 local terms energy: -51.233821 where: bonds (distance) C4'-P energy: -12.045 bonds (distance) P-C4' energy: -11.679 flat angles C4'-P-C4' energy: -12.632 flat angles P-C4'-P energy: -9.630 tors. eta vs tors. theta energy: -5.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -82.783416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.783416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.783416 (E_RNA) where: Base-Base interactions energy: -36.745 where: short stacking energy: -32.471 Base-Backbone interact. energy: 0.009 local terms energy: -46.048203 where: bonds (distance) C4'-P energy: -9.388 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -12.774 flat angles P-C4'-P energy: -5.821 tors. eta vs tors. theta energy: -4.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -81.608819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.608819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.608819 (E_RNA) where: Base-Base interactions energy: -31.784 where: short stacking energy: -29.147 Base-Backbone interact. energy: 0.568 local terms energy: -50.392564 where: bonds (distance) C4'-P energy: -9.755 bonds (distance) P-C4' energy: -16.242 flat angles C4'-P-C4' energy: -10.578 flat angles P-C4'-P energy: -8.667 tors. eta vs tors. theta energy: -5.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -69.733750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.733750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.733750 (E_RNA) where: Base-Base interactions energy: -34.934 where: short stacking energy: -32.018 Base-Backbone interact. energy: 0.966 local terms energy: -35.765821 where: bonds (distance) C4'-P energy: -4.887 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -12.528 flat angles P-C4'-P energy: -3.802 tors. eta vs tors. theta energy: -0.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -157.035587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.035587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.035587 (E_RNA) where: Base-Base interactions energy: -94.292 where: short stacking energy: -58.441 Base-Backbone interact. energy: -0.091 local terms energy: -62.652465 where: bonds (distance) C4'-P energy: -13.381 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -10.741 flat angles P-C4'-P energy: -8.539 tors. eta vs tors. theta energy: -15.549 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: 6 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -147.990730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.990730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.990730 (E_RNA) where: Base-Base interactions energy: -90.425 where: short stacking energy: -55.567 Base-Backbone interact. energy: -0.340 local terms energy: -57.225774 where: bonds (distance) C4'-P energy: -10.314 bonds (distance) P-C4' energy: -15.401 flat angles C4'-P-C4' energy: -11.339 flat angles P-C4'-P energy: -7.835 tors. eta vs tors. theta energy: -12.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -136.648292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.648292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.648292 (E_RNA) where: Base-Base interactions energy: -84.187 where: short stacking energy: -55.007 Base-Backbone interact. energy: -0.184 local terms energy: -52.277654 where: bonds (distance) C4'-P energy: -11.461 bonds (distance) P-C4' energy: -12.796 flat angles C4'-P-C4' energy: -11.353 flat angles P-C4'-P energy: -7.234 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: 4, replica: 8 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -152.967683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.967683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.967683 (E_RNA) where: Base-Base interactions energy: -92.654 where: short stacking energy: -58.381 Base-Backbone interact. energy: -0.002 local terms energy: -60.310962 where: bonds (distance) C4'-P energy: -11.001 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -12.858 flat angles P-C4'-P energy: -6.211 tors. eta vs tors. theta energy: -15.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -129.639916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.639916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.639916 (E_RNA) where: Base-Base interactions energy: -84.459 where: short stacking energy: -52.861 Base-Backbone interact. energy: -0.382 local terms energy: -44.798627 where: bonds (distance) C4'-P energy: -6.048 bonds (distance) P-C4' energy: -9.662 flat angles C4'-P-C4' energy: -13.400 flat angles P-C4'-P energy: -5.857 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: 6, replica: 3 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -123.631932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.631932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.631932 (E_RNA) where: Base-Base interactions energy: -67.968 where: short stacking energy: -46.497 Base-Backbone interact. energy: -0.690 local terms energy: -54.973227 where: bonds (distance) C4'-P energy: -14.947 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -9.705 flat angles P-C4'-P energy: -8.122 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: 7, replica: 10 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -88.350127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.350127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.350127 (E_RNA) where: Base-Base interactions energy: -37.399 where: short stacking energy: -36.285 Base-Backbone interact. energy: -0.252 local terms energy: -50.699181 where: bonds (distance) C4'-P energy: -11.614 bonds (distance) P-C4' energy: -12.365 flat angles C4'-P-C4' energy: -11.519 flat angles P-C4'-P energy: -10.307 tors. eta vs tors. theta energy: -4.895 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: 1 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -76.965485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.965485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.965485 (E_RNA) where: Base-Base interactions energy: -29.753 where: short stacking energy: -25.922 Base-Backbone interact. energy: 0.319 local terms energy: -47.531322 where: bonds (distance) C4'-P energy: -9.564 bonds (distance) P-C4' energy: -15.480 flat angles C4'-P-C4' energy: -10.224 flat angles P-C4'-P energy: -8.851 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: 9 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -81.035069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.035069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.035069 (E_RNA) where: Base-Base interactions energy: -32.144 where: short stacking energy: -31.261 Base-Backbone interact. energy: -0.009 local terms energy: -48.881577 where: bonds (distance) C4'-P energy: -12.823 bonds (distance) P-C4' energy: -10.314 flat angles C4'-P-C4' energy: -12.909 flat angles P-C4'-P energy: -4.811 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: 10, replica: 5 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -81.904157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.904157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.904157 (E_RNA) where: Base-Base interactions energy: -34.300 where: short stacking energy: -34.300 Base-Backbone interact. energy: -0.234 local terms energy: -47.370395 where: bonds (distance) C4'-P energy: -11.586 bonds (distance) P-C4' energy: -11.510 flat angles C4'-P-C4' energy: -12.116 flat angles P-C4'-P energy: -5.301 tors. eta vs tors. theta energy: -6.857 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: 2 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -171.219649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.219649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.219649 (E_RNA) where: Base-Base interactions energy: -103.127 where: short stacking energy: -72.275 Base-Backbone interact. energy: -0.003 local terms energy: -68.089813 where: bonds (distance) C4'-P energy: -11.742 bonds (distance) P-C4' energy: -14.917 flat angles C4'-P-C4' energy: -12.412 flat angles P-C4'-P energy: -10.288 tors. eta vs tors. theta energy: -18.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -152.271464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.271464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.271464 (E_RNA) where: Base-Base interactions energy: -89.995 where: short stacking energy: -56.473 Base-Backbone interact. energy: -0.132 local terms energy: -62.144975 where: bonds (distance) C4'-P energy: -8.492 bonds (distance) P-C4' energy: -15.093 flat angles C4'-P-C4' energy: -14.368 flat angles P-C4'-P energy: -10.381 tors. eta vs tors. theta energy: -13.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -133.589038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.589038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.589038 (E_RNA) where: Base-Base interactions energy: -78.528 where: short stacking energy: -49.543 Base-Backbone interact. energy: -0.307 local terms energy: -54.753675 where: bonds (distance) C4'-P energy: -13.039 bonds (distance) P-C4' energy: -14.407 flat angles C4'-P-C4' energy: -10.404 flat angles P-C4'-P energy: -8.100 tors. eta vs tors. theta energy: -8.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -136.233402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.233402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.233402 (E_RNA) where: Base-Base interactions energy: -81.824 where: short stacking energy: -47.376 Base-Backbone interact. energy: -0.707 local terms energy: -53.703211 where: bonds (distance) C4'-P energy: -14.466 bonds (distance) P-C4' energy: -9.714 flat angles C4'-P-C4' energy: -10.012 flat angles P-C4'-P energy: -9.260 tors. eta vs tors. theta energy: -10.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -143.677147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.677147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.677147 (E_RNA) where: Base-Base interactions energy: -86.154 where: short stacking energy: -60.725 Base-Backbone interact. energy: -0.102 local terms energy: -57.420672 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -15.273 flat angles C4'-P-C4' energy: -13.082 flat angles P-C4'-P energy: -8.923 tors. eta vs tors. theta energy: -13.947 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: 3 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -136.170005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.170005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.170005 (E_RNA) where: Base-Base interactions energy: -82.226 where: short stacking energy: -58.273 Base-Backbone interact. energy: -0.009 local terms energy: -53.935522 where: bonds (distance) C4'-P energy: -3.642 bonds (distance) P-C4' energy: -11.858 flat angles C4'-P-C4' energy: -15.550 flat angles P-C4'-P energy: -6.839 tors. eta vs tors. theta energy: -16.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -79.105845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.105845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.105845 (E_RNA) where: Base-Base interactions energy: -31.094 where: short stacking energy: -29.651 Base-Backbone interact. energy: -0.136 local terms energy: -47.876477 where: bonds (distance) C4'-P energy: -10.704 bonds (distance) P-C4' energy: -14.994 flat angles C4'-P-C4' energy: -9.721 flat angles P-C4'-P energy: -7.450 tors. eta vs tors. theta energy: -5.008 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: 8, replica: 9 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -89.555535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.555535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.555535 (E_RNA) where: Base-Base interactions energy: -44.041 where: short stacking energy: -43.025 Base-Backbone interact. energy: -0.813 local terms energy: -44.701355 where: bonds (distance) C4'-P energy: -11.167 bonds (distance) P-C4' energy: -8.734 flat angles C4'-P-C4' energy: -9.011 flat angles P-C4'-P energy: -9.396 tors. eta vs tors. theta energy: -6.394 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: 1 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -71.638354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.638354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.638354 (E_RNA) where: Base-Base interactions energy: -24.863 where: short stacking energy: -22.899 Base-Backbone interact. energy: -0.038 local terms energy: -46.737770 where: bonds (distance) C4'-P energy: -11.109 bonds (distance) P-C4' energy: -13.363 flat angles C4'-P-C4' energy: -12.910 flat angles P-C4'-P energy: -7.407 tors. eta vs tors. theta energy: -1.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -81.337494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.337494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.337494 (E_RNA) where: Base-Base interactions energy: -31.616 where: short stacking energy: -32.237 Base-Backbone interact. energy: -0.024 local terms energy: -49.697328 where: bonds (distance) C4'-P energy: -11.598 bonds (distance) P-C4' energy: -12.966 flat angles C4'-P-C4' energy: -11.197 flat angles P-C4'-P energy: -7.999 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: 1, replica: 6 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -160.915547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.915547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.915547 (E_RNA) where: Base-Base interactions energy: -103.269 where: short stacking energy: -61.814 Base-Backbone interact. energy: -0.156 local terms energy: -57.491089 where: bonds (distance) C4'-P energy: -10.065 bonds (distance) P-C4' energy: -8.815 flat angles C4'-P-C4' energy: -13.173 flat angles P-C4'-P energy: -9.086 tors. eta vs tors. theta energy: -16.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -165.205766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.205766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.205766 (E_RNA) where: Base-Base interactions energy: -101.448 where: short stacking energy: -60.902 Base-Backbone interact. energy: -0.004 local terms energy: -63.753513 where: bonds (distance) C4'-P energy: -11.705 bonds (distance) P-C4' energy: -14.922 flat angles C4'-P-C4' energy: -14.165 flat angles P-C4'-P energy: -7.320 tors. eta vs tors. theta energy: -15.640 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: 4 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -134.799523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.799523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.799523 (E_RNA) where: Base-Base interactions energy: -79.158 where: short stacking energy: -47.986 Base-Backbone interact. energy: -1.080 local terms energy: -54.561314 where: bonds (distance) C4'-P energy: -11.449 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -8.081 flat angles P-C4'-P energy: -10.341 tors. eta vs tors. theta energy: -10.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -130.989537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.989537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.989537 (E_RNA) where: Base-Base interactions energy: -73.411 where: short stacking energy: -40.515 Base-Backbone interact. energy: -0.001 local terms energy: -57.577520 where: bonds (distance) C4'-P energy: -11.953 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -12.146 flat angles P-C4'-P energy: -10.794 tors. eta vs tors. theta energy: -8.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -123.416440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.416440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.416440 (E_RNA) where: Base-Base interactions energy: -67.781 where: short stacking energy: -40.385 Base-Backbone interact. energy: -0.099 local terms energy: -55.536472 where: bonds (distance) C4'-P energy: -13.013 bonds (distance) P-C4' energy: -11.784 flat angles C4'-P-C4' energy: -11.528 flat angles P-C4'-P energy: -9.836 tors. eta vs tors. theta energy: -9.375 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: 8 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -135.677160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.677160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.677160 (E_RNA) where: Base-Base interactions energy: -76.390 where: short stacking energy: -47.078 Base-Backbone interact. energy: -0.036 local terms energy: -59.251416 where: bonds (distance) C4'-P energy: -10.323 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -11.113 flat angles P-C4'-P energy: -7.530 tors. eta vs tors. theta energy: -16.785 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: 462 Temperature: 1.200000 Total energy: -91.931766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.931766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.931766 (E_RNA) where: Base-Base interactions energy: -44.145 where: short stacking energy: -44.145 Base-Backbone interact. energy: -0.038 local terms energy: -47.749174 where: bonds (distance) C4'-P energy: -13.746 bonds (distance) P-C4' energy: -10.062 flat angles C4'-P-C4' energy: -12.921 flat angles P-C4'-P energy: -5.926 tors. eta vs tors. theta energy: -5.094 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: 10 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -93.053214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.053214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.053214 (E_RNA) where: Base-Base interactions energy: -44.702 where: short stacking energy: -31.160 Base-Backbone interact. energy: -0.061 local terms energy: -48.290231 where: bonds (distance) C4'-P energy: -10.807 bonds (distance) P-C4' energy: -13.761 flat angles C4'-P-C4' energy: -15.061 flat angles P-C4'-P energy: -5.544 tors. eta vs tors. theta energy: -3.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -86.670852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.670852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.670852 (E_RNA) where: Base-Base interactions energy: -38.148 where: short stacking energy: -38.148 Base-Backbone interact. energy: -0.101 local terms energy: -48.421847 where: bonds (distance) C4'-P energy: -9.131 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -13.585 flat angles P-C4'-P energy: -5.989 tors. eta vs tors. theta energy: -6.879 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: 1 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -72.443781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.443781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.443781 (E_RNA) where: Base-Base interactions energy: -27.330 where: short stacking energy: -27.330 Base-Backbone interact. energy: 0.873 local terms energy: -45.986650 where: bonds (distance) C4'-P energy: -11.528 bonds (distance) P-C4' energy: -8.659 flat angles C4'-P-C4' energy: -13.809 flat angles P-C4'-P energy: -11.250 tors. eta vs tors. theta energy: -0.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -169.845071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.845071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.845071 (E_RNA) where: Base-Base interactions energy: -105.605 where: short stacking energy: -66.946 Base-Backbone interact. energy: -0.101 local terms energy: -64.139553 where: bonds (distance) C4'-P energy: -14.877 bonds (distance) P-C4' energy: -11.620 flat angles C4'-P-C4' energy: -13.299 flat angles P-C4'-P energy: -7.167 tors. eta vs tors. theta energy: -17.176 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: 4 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -139.106808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.106808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.106808 (E_RNA) where: Base-Base interactions energy: -80.603 where: short stacking energy: -51.385 Base-Backbone interact. energy: -0.006 local terms energy: -58.497430 where: bonds (distance) C4'-P energy: -13.809 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -12.131 flat angles P-C4'-P energy: -8.086 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: 3, replica: 2 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -150.285368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.285368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.285368 (E_RNA) where: Base-Base interactions energy: -95.058 where: short stacking energy: -61.549 Base-Backbone interact. energy: -0.409 local terms energy: -54.818482 where: bonds (distance) C4'-P energy: -10.439 bonds (distance) P-C4' energy: -11.880 flat angles C4'-P-C4' energy: -11.154 flat angles P-C4'-P energy: -7.977 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: 4, replica: 7 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -143.913368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.913368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.913368 (E_RNA) where: Base-Base interactions energy: -91.450 where: short stacking energy: -51.650 Base-Backbone interact. energy: 0.144 local terms energy: -52.607183 where: bonds (distance) C4'-P energy: -10.087 bonds (distance) P-C4' energy: -9.477 flat angles C4'-P-C4' energy: -12.752 flat angles P-C4'-P energy: -6.881 tors. eta vs tors. theta energy: -13.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -122.880673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.880673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.880673 (E_RNA) where: Base-Base interactions energy: -63.324 where: short stacking energy: -41.817 Base-Backbone interact. energy: -0.012 local terms energy: -59.544350 where: bonds (distance) C4'-P energy: -13.750 bonds (distance) P-C4' energy: -13.431 flat angles C4'-P-C4' energy: -14.154 flat angles P-C4'-P energy: -10.217 tors. eta vs tors. theta energy: -7.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -131.371088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.371088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.371088 (E_RNA) where: Base-Base interactions energy: -78.172 where: short stacking energy: -52.975 Base-Backbone interact. energy: 0.259 local terms energy: -53.457802 where: bonds (distance) C4'-P energy: -8.067 bonds (distance) P-C4' energy: -11.440 flat angles C4'-P-C4' energy: -12.045 flat angles P-C4'-P energy: -9.404 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: 7, replica: 9 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -88.665860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.665860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.665860 (E_RNA) where: Base-Base interactions energy: -44.488 where: short stacking energy: -39.627 Base-Backbone interact. energy: -0.215 local terms energy: -43.962456 where: bonds (distance) C4'-P energy: -14.876 bonds (distance) P-C4' energy: -12.841 flat angles C4'-P-C4' energy: -10.434 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -1.825 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: 8, replica: 5 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -78.590212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.590212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.590212 (E_RNA) where: Base-Base interactions energy: -37.305 where: short stacking energy: -37.305 Base-Backbone interact. energy: 0.409 local terms energy: -41.693659 where: bonds (distance) C4'-P energy: -2.209 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -8.893 flat angles P-C4'-P energy: -9.069 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: 9, replica: 10 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -93.084800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.084800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.084800 (E_RNA) where: Base-Base interactions energy: -51.552 where: short stacking energy: -32.272 Base-Backbone interact. energy: -0.129 local terms energy: -41.404295 where: bonds (distance) C4'-P energy: -11.701 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -11.109 flat angles P-C4'-P energy: -4.183 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: 10, replica: 1 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -67.137799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.137799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.137799 (E_RNA) where: Base-Base interactions energy: -24.400 where: short stacking energy: -23.337 Base-Backbone interact. energy: -0.263 local terms energy: -42.474998 where: bonds (distance) C4'-P energy: -9.413 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -7.306 flat angles P-C4'-P energy: -7.486 tors. eta vs tors. theta energy: -2.969 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: 6 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -168.509613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.509613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.509613 (E_RNA) where: Base-Base interactions energy: -100.544 where: short stacking energy: -64.123 Base-Backbone interact. energy: -0.175 local terms energy: -67.791182 where: bonds (distance) C4'-P energy: -12.695 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -15.732 flat angles P-C4'-P energy: -9.430 tors. eta vs tors. theta energy: -16.018 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: 4 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -144.685908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.685908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.685908 (E_RNA) where: Base-Base interactions energy: -86.371 where: short stacking energy: -54.554 Base-Backbone interact. energy: -0.008 local terms energy: -58.307580 where: bonds (distance) C4'-P energy: -12.103 bonds (distance) P-C4' energy: -11.906 flat angles C4'-P-C4' energy: -12.433 flat angles P-C4'-P energy: -9.205 tors. eta vs tors. theta energy: -12.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -148.076764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.076764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.076764 (E_RNA) where: Base-Base interactions energy: -90.489 where: short stacking energy: -55.473 Base-Backbone interact. energy: -0.346 local terms energy: -57.241622 where: bonds (distance) C4'-P energy: -10.662 bonds (distance) P-C4' energy: -14.127 flat angles C4'-P-C4' energy: -13.046 flat angles P-C4'-P energy: -6.841 tors. eta vs tors. theta energy: -12.566 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: 7 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -144.162351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.162351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.162351 (E_RNA) where: Base-Base interactions energy: -85.551 where: short stacking energy: -53.077 Base-Backbone interact. energy: -0.038 local terms energy: -58.572737 where: bonds (distance) C4'-P energy: -14.280 bonds (distance) P-C4' energy: -12.373 flat angles C4'-P-C4' energy: -12.975 flat angles P-C4'-P energy: -9.611 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: 5, replica: 8 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -134.855257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.855257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.855257 (E_RNA) where: Base-Base interactions energy: -78.881 where: short stacking energy: -50.346 Base-Backbone interact. energy: 0.845 local terms energy: -56.818878 where: bonds (distance) C4'-P energy: -9.299 bonds (distance) P-C4' energy: -12.342 flat angles C4'-P-C4' energy: -12.565 flat angles P-C4'-P energy: -10.042 tors. eta vs tors. theta energy: -12.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -126.539679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.539679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.539679 (E_RNA) where: Base-Base interactions energy: -76.931 where: short stacking energy: -48.348 Base-Backbone interact. energy: -0.032 local terms energy: -49.575935 where: bonds (distance) C4'-P energy: -9.413 bonds (distance) P-C4' energy: -13.974 flat angles C4'-P-C4' energy: -15.057 flat angles P-C4'-P energy: -6.914 tors. eta vs tors. theta energy: -4.218 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: 5 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -91.638376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.638376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.638376 (E_RNA) where: Base-Base interactions energy: -48.232 where: short stacking energy: -44.010 Base-Backbone interact. energy: -0.035 local terms energy: -43.370777 where: bonds (distance) C4'-P energy: -8.415 bonds (distance) P-C4' energy: -11.600 flat angles C4'-P-C4' energy: -10.144 flat angles P-C4'-P energy: -7.976 tors. eta vs tors. theta energy: -5.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -77.356995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.356995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.356995 (E_RNA) where: Base-Base interactions energy: -28.232 where: short stacking energy: -28.732 Base-Backbone interact. energy: -0.033 local terms energy: -49.091253 where: bonds (distance) C4'-P energy: -13.845 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -6.215 flat angles P-C4'-P energy: -7.773 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: 9, replica: 10 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -82.066127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.066127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.066127 (E_RNA) where: Base-Base interactions energy: -35.641 where: short stacking energy: -27.212 Base-Backbone interact. energy: -0.269 local terms energy: -46.156771 where: bonds (distance) C4'-P energy: -8.632 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -7.728 flat angles P-C4'-P energy: -9.992 tors. eta vs tors. theta energy: -6.465 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: 10, replica: 1 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -83.547711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.547711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.547711 (E_RNA) where: Base-Base interactions energy: -36.901 where: short stacking energy: -31.043 Base-Backbone interact. energy: -0.055 local terms energy: -46.591615 where: bonds (distance) C4'-P energy: -7.640 bonds (distance) P-C4' energy: -13.327 flat angles C4'-P-C4' energy: -11.473 flat angles P-C4'-P energy: -8.544 tors. eta vs tors. theta energy: -5.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -155.557561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.557561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.557561 (E_RNA) where: Base-Base interactions energy: -93.040 where: short stacking energy: -61.101 Base-Backbone interact. energy: -0.486 local terms energy: -62.031064 where: bonds (distance) C4'-P energy: -8.857 bonds (distance) P-C4' energy: -15.973 flat angles C4'-P-C4' energy: -11.061 flat angles P-C4'-P energy: -8.903 tors. eta vs tors. theta energy: -17.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -153.056186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.056186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.056186 (E_RNA) where: Base-Base interactions energy: -90.235 where: short stacking energy: -60.373 Base-Backbone interact. energy: -0.013 local terms energy: -62.808496 where: bonds (distance) C4'-P energy: -14.032 bonds (distance) P-C4' energy: -13.201 flat angles C4'-P-C4' energy: -13.532 flat angles P-C4'-P energy: -9.689 tors. eta vs tors. theta energy: -12.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -146.803739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.803739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.803739 (E_RNA) where: Base-Base interactions energy: -83.398 where: short stacking energy: -49.849 Base-Backbone interact. energy: -0.083 local terms energy: -63.322998 where: bonds (distance) C4'-P energy: -11.759 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -15.729 flat angles P-C4'-P energy: -8.750 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: 4, replica: 8 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -126.819823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.819823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.819823 (E_RNA) where: Base-Base interactions energy: -70.648 where: short stacking energy: -40.651 Base-Backbone interact. energy: 0.517 local terms energy: -56.689053 where: bonds (distance) C4'-P energy: -14.119 bonds (distance) P-C4' energy: -10.023 flat angles C4'-P-C4' energy: -13.996 flat angles P-C4'-P energy: -9.718 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: 5, replica: 7 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -137.290704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.290704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.290704 (E_RNA) where: Base-Base interactions energy: -83.169 where: short stacking energy: -54.873 Base-Backbone interact. energy: -0.055 local terms energy: -54.066130 where: bonds (distance) C4'-P energy: -11.527 bonds (distance) P-C4' energy: -9.594 flat angles C4'-P-C4' energy: -11.996 flat angles P-C4'-P energy: -11.582 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: 6, replica: 3 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -118.987255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.987255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.987255 (E_RNA) where: Base-Base interactions energy: -70.299 where: short stacking energy: -43.108 Base-Backbone interact. energy: -0.025 local terms energy: -48.662618 where: bonds (distance) C4'-P energy: -11.412 bonds (distance) P-C4' energy: -14.121 flat angles C4'-P-C4' energy: -12.023 flat angles P-C4'-P energy: -6.892 tors. eta vs tors. theta energy: -4.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -90.440834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.440834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.440834 (E_RNA) where: Base-Base interactions energy: -46.602 where: short stacking energy: -38.497 Base-Backbone interact. energy: -0.177 local terms energy: -43.661707 where: bonds (distance) C4'-P energy: -11.440 bonds (distance) P-C4' energy: -7.813 flat angles C4'-P-C4' energy: -13.287 flat angles P-C4'-P energy: -5.026 tors. eta vs tors. theta energy: -6.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -84.155347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.155347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.155347 (E_RNA) where: Base-Base interactions energy: -34.980 where: short stacking energy: -34.980 Base-Backbone interact. energy: -0.181 local terms energy: -48.994821 where: bonds (distance) C4'-P energy: -11.730 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -9.876 flat angles P-C4'-P energy: -7.078 tors. eta vs tors. theta energy: -5.264 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: 465 Temperature: 1.300000 Total energy: -79.177323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.177323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.177323 (E_RNA) where: Base-Base interactions energy: -36.234 where: short stacking energy: -25.403 Base-Backbone interact. energy: -0.780 local terms energy: -42.163786 where: bonds (distance) C4'-P energy: -8.146 bonds (distance) P-C4' energy: -13.637 flat angles C4'-P-C4' energy: -6.722 flat angles P-C4'-P energy: -9.582 tors. eta vs tors. theta energy: -4.077 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: 1 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -73.970534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.970534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.970534 (E_RNA) where: Base-Base interactions energy: -21.551 where: short stacking energy: -20.890 Base-Backbone interact. energy: -0.040 local terms energy: -52.379895 where: bonds (distance) C4'-P energy: -11.705 bonds (distance) P-C4' energy: -14.230 flat angles C4'-P-C4' energy: -12.964 flat angles P-C4'-P energy: -5.467 tors. eta vs tors. theta energy: -8.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -166.296650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.296650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.296650 (E_RNA) where: Base-Base interactions energy: -98.102 where: short stacking energy: -64.516 Base-Backbone interact. energy: -0.079 local terms energy: -68.116430 where: bonds (distance) C4'-P energy: -15.394 bonds (distance) P-C4' energy: -12.989 flat angles C4'-P-C4' energy: -16.017 flat angles P-C4'-P energy: -12.066 tors. eta vs tors. theta energy: -11.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -154.938264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.938264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.938264 (E_RNA) where: Base-Base interactions energy: -89.739 where: short stacking energy: -57.584 Base-Backbone interact. energy: -0.001 local terms energy: -65.198833 where: bonds (distance) C4'-P energy: -12.620 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -12.976 flat angles P-C4'-P energy: -7.942 tors. eta vs tors. theta energy: -15.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -152.652973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.652973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.652973 (E_RNA) where: Base-Base interactions energy: -94.654 where: short stacking energy: -59.237 Base-Backbone interact. energy: -0.079 local terms energy: -57.920328 where: bonds (distance) C4'-P energy: -9.876 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -13.038 flat angles P-C4'-P energy: -7.652 tors. eta vs tors. theta energy: -12.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -136.002071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.002071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.002071 (E_RNA) where: Base-Base interactions energy: -88.792 where: short stacking energy: -52.366 Base-Backbone interact. energy: -0.795 local terms energy: -46.414955 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -9.382 flat angles C4'-P-C4' energy: -9.365 flat angles P-C4'-P energy: -8.728 tors. eta vs tors. theta energy: -10.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -142.344023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.344023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.344023 (E_RNA) where: Base-Base interactions energy: -82.991 where: short stacking energy: -47.744 Base-Backbone interact. energy: -0.211 local terms energy: -59.141457 where: bonds (distance) C4'-P energy: -11.365 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -12.308 flat angles P-C4'-P energy: -10.029 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: 6, replica: 3 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -93.818888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.818888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.818888 (E_RNA) where: Base-Base interactions energy: -50.721 where: short stacking energy: -26.996 Base-Backbone interact. energy: -0.119 local terms energy: -42.978735 where: bonds (distance) C4'-P energy: -10.990 bonds (distance) P-C4' energy: -9.743 flat angles C4'-P-C4' energy: -14.691 flat angles P-C4'-P energy: -6.474 tors. eta vs tors. theta energy: -1.081 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: 10 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -79.771188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.771188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.771188 (E_RNA) where: Base-Base interactions energy: -29.188 where: short stacking energy: -29.188 Base-Backbone interact. energy: -0.338 local terms energy: -50.245248 where: bonds (distance) C4'-P energy: -13.172 bonds (distance) P-C4' energy: -16.020 flat angles C4'-P-C4' energy: -12.145 flat angles P-C4'-P energy: -5.877 tors. eta vs tors. theta energy: -3.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -80.803089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.803089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.803089 (E_RNA) where: Base-Base interactions energy: -40.577 where: short stacking energy: -35.347 Base-Backbone interact. energy: -0.322 local terms energy: -39.904195 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.373 flat angles C4'-P-C4' energy: -11.974 flat angles P-C4'-P energy: -5.886 tors. eta vs tors. theta energy: -5.284 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: 1 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -74.584428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.584428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.584428 (E_RNA) where: Base-Base interactions energy: -35.928 where: short stacking energy: -30.674 Base-Backbone interact. energy: -0.098 local terms energy: -38.558258 where: bonds (distance) C4'-P energy: -11.224 bonds (distance) P-C4' energy: -10.975 flat angles C4'-P-C4' energy: -10.417 flat angles P-C4'-P energy: -4.517 tors. eta vs tors. theta energy: -1.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -74.148754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.148754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.148754 (E_RNA) where: Base-Base interactions energy: -30.045 where: short stacking energy: -27.410 Base-Backbone interact. energy: -0.164 local terms energy: -43.939694 where: bonds (distance) C4'-P energy: -11.987 bonds (distance) P-C4' energy: -12.010 flat angles C4'-P-C4' energy: -9.769 flat angles P-C4'-P energy: -9.591 tors. eta vs tors. theta energy: -0.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -167.168217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.168217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.168217 (E_RNA) where: Base-Base interactions energy: -102.431 where: short stacking energy: -68.594 Base-Backbone interact. energy: 1.096 local terms energy: -65.833533 where: bonds (distance) C4'-P energy: -15.171 bonds (distance) P-C4' energy: -11.109 flat angles C4'-P-C4' energy: -12.498 flat angles P-C4'-P energy: -10.771 tors. eta vs tors. theta energy: -16.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -153.745843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.745843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.745843 (E_RNA) where: Base-Base interactions energy: -90.203 where: short stacking energy: -62.897 Base-Backbone interact. energy: -0.003 local terms energy: -63.540347 where: bonds (distance) C4'-P energy: -11.342 bonds (distance) P-C4' energy: -13.645 flat angles C4'-P-C4' energy: -12.324 flat angles P-C4'-P energy: -10.382 tors. eta vs tors. theta energy: -15.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -148.947080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.947080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.947080 (E_RNA) where: Base-Base interactions energy: -84.764 where: short stacking energy: -56.401 Base-Backbone interact. energy: -0.002 local terms energy: -64.180430 where: bonds (distance) C4'-P energy: -11.879 bonds (distance) P-C4' energy: -13.419 flat angles C4'-P-C4' energy: -14.621 flat angles P-C4'-P energy: -10.094 tors. eta vs tors. theta energy: -14.168 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: 8 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -131.236951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.236951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.236951 (E_RNA) where: Base-Base interactions energy: -78.825 where: short stacking energy: -50.128 Base-Backbone interact. energy: -0.209 local terms energy: -52.203137 where: bonds (distance) C4'-P energy: -9.660 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -9.389 flat angles P-C4'-P energy: -6.566 tors. eta vs tors. theta energy: -12.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -142.920035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.920035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.920035 (E_RNA) where: Base-Base interactions energy: -91.689 where: short stacking energy: -58.392 Base-Backbone interact. energy: -0.273 local terms energy: -50.957983 where: bonds (distance) C4'-P energy: -9.726 bonds (distance) P-C4' energy: -10.793 flat angles C4'-P-C4' energy: -12.066 flat angles P-C4'-P energy: -8.219 tors. eta vs tors. theta energy: -10.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -95.831822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.831822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.831822 (E_RNA) where: Base-Base interactions energy: -46.572 where: short stacking energy: -22.733 Base-Backbone interact. energy: -0.799 local terms energy: -48.460204 where: bonds (distance) C4'-P energy: -12.096 bonds (distance) P-C4' energy: -14.399 flat angles C4'-P-C4' energy: -12.605 flat angles P-C4'-P energy: -9.016 tors. eta vs tors. theta energy: -0.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -80.307804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.307804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.307804 (E_RNA) where: Base-Base interactions energy: -30.870 where: short stacking energy: -29.056 Base-Backbone interact. energy: -0.026 local terms energy: -49.412259 where: bonds (distance) C4'-P energy: -8.857 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -8.824 flat angles P-C4'-P energy: -9.347 tors. eta vs tors. theta energy: -8.824 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: 1 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -82.959638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.959638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.959638 (E_RNA) where: Base-Base interactions energy: -45.647 where: short stacking energy: -34.828 Base-Backbone interact. energy: -0.253 local terms energy: -37.059721 where: bonds (distance) C4'-P energy: 0.251 bonds (distance) P-C4' energy: -12.765 flat angles C4'-P-C4' energy: -11.151 flat angles P-C4'-P energy: -9.779 tors. eta vs tors. theta energy: -3.615 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: 5 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -78.901513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.901513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.901513 (E_RNA) where: Base-Base interactions energy: -34.443 where: short stacking energy: -33.421 Base-Backbone interact. energy: -0.241 local terms energy: -44.217781 where: bonds (distance) C4'-P energy: -12.549 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -9.977 flat angles P-C4'-P energy: -5.483 tors. eta vs tors. theta energy: -2.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -75.959009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.959009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.959009 (E_RNA) where: Base-Base interactions energy: -32.969 where: short stacking energy: -31.698 Base-Backbone interact. energy: -0.019 local terms energy: -42.971801 where: bonds (distance) C4'-P energy: -10.324 bonds (distance) P-C4' energy: -9.264 flat angles C4'-P-C4' energy: -3.594 flat angles P-C4'-P energy: -8.756 tors. eta vs tors. theta energy: -11.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -141.652907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.652907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.652907 (E_RNA) where: Base-Base interactions energy: -93.097 where: short stacking energy: -47.134 Base-Backbone interact. energy: -0.056 local terms energy: -48.500515 where: bonds (distance) C4'-P energy: -9.902 bonds (distance) P-C4' energy: -12.170 flat angles C4'-P-C4' energy: -11.204 flat angles P-C4'-P energy: -5.509 tors. eta vs tors. theta energy: -9.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -161.527674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.527674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.527674 (E_RNA) where: Base-Base interactions energy: -97.910 where: short stacking energy: -65.745 Base-Backbone interact. energy: -0.002 local terms energy: -63.616160 where: bonds (distance) C4'-P energy: -11.220 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -12.372 flat angles P-C4'-P energy: -10.559 tors. eta vs tors. theta energy: -15.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -153.452899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.452899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.452899 (E_RNA) where: Base-Base interactions energy: -87.711 where: short stacking energy: -58.284 Base-Backbone interact. energy: -0.241 local terms energy: -65.501294 where: bonds (distance) C4'-P energy: -10.782 bonds (distance) P-C4' energy: -14.924 flat angles C4'-P-C4' energy: -13.421 flat angles P-C4'-P energy: -10.350 tors. eta vs tors. theta energy: -16.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -151.654148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.654148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.654148 (E_RNA) where: Base-Base interactions energy: -91.993 where: short stacking energy: -55.187 Base-Backbone interact. energy: -0.199 local terms energy: -59.461469 where: bonds (distance) C4'-P energy: -8.473 bonds (distance) P-C4' energy: -13.719 flat angles C4'-P-C4' energy: -13.410 flat angles P-C4'-P energy: -10.199 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: 5, replica: 7 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -137.110397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.110397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.110397 (E_RNA) where: Base-Base interactions energy: -84.611 where: short stacking energy: -46.304 Base-Backbone interact. energy: -0.039 local terms energy: -52.460471 where: bonds (distance) C4'-P energy: -12.868 bonds (distance) P-C4' energy: -13.949 flat angles C4'-P-C4' energy: -14.184 flat angles P-C4'-P energy: 1.063 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: 6, replica: 3 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -110.912397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.912397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.912397 (E_RNA) where: Base-Base interactions energy: -52.954 where: short stacking energy: -52.954 Base-Backbone interact. energy: -0.000 local terms energy: -57.957771 where: bonds (distance) C4'-P energy: -12.748 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -9.829 flat angles P-C4'-P energy: -7.490 tors. eta vs tors. theta energy: -13.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -87.819815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.819815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.819815 (E_RNA) where: Base-Base interactions energy: -41.223 where: short stacking energy: -36.411 Base-Backbone interact. energy: -0.133 local terms energy: -46.464489 where: bonds (distance) C4'-P energy: -9.896 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -9.407 flat angles P-C4'-P energy: -6.036 tors. eta vs tors. theta energy: -5.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -79.158485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.158485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.158485 (E_RNA) where: Base-Base interactions energy: -38.136 where: short stacking energy: -36.266 Base-Backbone interact. energy: -0.127 local terms energy: -40.896004 where: bonds (distance) C4'-P energy: -12.185 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -9.267 flat angles P-C4'-P energy: -6.126 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: 9, replica: 9 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -80.408229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.408229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.408229 (E_RNA) where: Base-Base interactions energy: -35.945 where: short stacking energy: -36.624 Base-Backbone interact. energy: -0.006 local terms energy: -44.456719 where: bonds (distance) C4'-P energy: -11.035 bonds (distance) P-C4' energy: -11.495 flat angles C4'-P-C4' energy: -8.485 flat angles P-C4'-P energy: -3.121 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: 10, replica: 5 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -79.170627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.170627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.170627 (E_RNA) where: Base-Base interactions energy: -44.314 where: short stacking energy: -42.843 Base-Backbone interact. energy: -0.017 local terms energy: -34.839523 where: bonds (distance) C4'-P energy: -11.523 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -11.004 flat angles P-C4'-P energy: 0.348 tors. eta vs tors. theta energy: -6.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -148.389120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.389120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.389120 (E_RNA) where: Base-Base interactions energy: -92.563 where: short stacking energy: -63.023 Base-Backbone interact. energy: 0.931 local terms energy: -56.757261 where: bonds (distance) C4'-P energy: -11.242 bonds (distance) P-C4' energy: -12.674 flat angles C4'-P-C4' energy: -9.319 flat angles P-C4'-P energy: -9.893 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: 2, replica: 4 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -156.483660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.483660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.483660 (E_RNA) where: Base-Base interactions energy: -93.896 where: short stacking energy: -66.907 Base-Backbone interact. energy: -0.012 local terms energy: -62.575626 where: bonds (distance) C4'-P energy: -11.299 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -12.992 flat angles P-C4'-P energy: -8.676 tors. eta vs tors. theta energy: -15.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -140.543591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.543591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.543591 (E_RNA) where: Base-Base interactions energy: -81.385 where: short stacking energy: -51.138 Base-Backbone interact. energy: -0.601 local terms energy: -58.557068 where: bonds (distance) C4'-P energy: -12.592 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -9.029 flat angles P-C4'-P energy: -9.833 tors. eta vs tors. theta energy: -13.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -136.284167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.284167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.284167 (E_RNA) where: Base-Base interactions energy: -78.581 where: short stacking energy: -48.574 Base-Backbone interact. energy: -0.010 local terms energy: -57.692269 where: bonds (distance) C4'-P energy: -11.934 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -13.834 flat angles P-C4'-P energy: -5.387 tors. eta vs tors. theta energy: -11.677 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: 5, replica: 8 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -135.514025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.514025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.514025 (E_RNA) where: Base-Base interactions energy: -81.146 where: short stacking energy: -42.919 Base-Backbone interact. energy: 2.011 local terms energy: -56.379372 where: bonds (distance) C4'-P energy: -12.105 bonds (distance) P-C4' energy: -16.479 flat angles C4'-P-C4' energy: -8.269 flat angles P-C4'-P energy: -8.758 tors. eta vs tors. theta energy: -10.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -86.570353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.570353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.570353 (E_RNA) where: Base-Base interactions energy: -40.083 where: short stacking energy: -37.080 Base-Backbone interact. energy: -0.129 local terms energy: -46.358580 where: bonds (distance) C4'-P energy: -10.310 bonds (distance) P-C4' energy: -12.677 flat angles C4'-P-C4' energy: -11.491 flat angles P-C4'-P energy: -7.342 tors. eta vs tors. theta energy: -4.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -94.109676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.109676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.109676 (E_RNA) where: Base-Base interactions energy: -42.820 where: short stacking energy: -42.820 Base-Backbone interact. energy: -0.018 local terms energy: -51.271284 where: bonds (distance) C4'-P energy: -9.353 bonds (distance) P-C4' energy: -12.282 flat angles C4'-P-C4' energy: -13.172 flat angles P-C4'-P energy: -9.818 tors. eta vs tors. theta energy: -6.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -79.914391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.914391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.914391 (E_RNA) where: Base-Base interactions energy: -34.423 where: short stacking energy: -34.423 Base-Backbone interact. energy: -0.148 local terms energy: -45.343260 where: bonds (distance) C4'-P energy: -9.370 bonds (distance) P-C4' energy: -13.618 flat angles C4'-P-C4' energy: -8.293 flat angles P-C4'-P energy: -8.808 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: 10 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -68.736113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.736113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.736113 (E_RNA) where: Base-Base interactions energy: -34.949 where: short stacking energy: -30.340 Base-Backbone interact. energy: 0.042 local terms energy: -33.828883 where: bonds (distance) C4'-P energy: -11.483 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -9.404 flat angles P-C4'-P energy: -6.757 tors. eta vs tors. theta energy: 0.852 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: 5 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -68.954484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.954484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.954484 (E_RNA) where: Base-Base interactions energy: -26.391 where: short stacking energy: -26.391 Base-Backbone interact. energy: -0.345 local terms energy: -42.217624 where: bonds (distance) C4'-P energy: -8.762 bonds (distance) P-C4' energy: -7.808 flat angles C4'-P-C4' energy: -11.300 flat angles P-C4'-P energy: -9.684 tors. eta vs tors. theta energy: -4.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -164.901595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.901595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.901595 (E_RNA) where: Base-Base interactions energy: -108.943 where: short stacking energy: -60.942 Base-Backbone interact. energy: -0.852 local terms energy: -55.105721 where: bonds (distance) C4'-P energy: -11.999 bonds (distance) P-C4' energy: -12.400 flat angles C4'-P-C4' energy: -9.014 flat angles P-C4'-P energy: -7.448 tors. eta vs tors. theta energy: -14.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -146.135927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.135927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.135927 (E_RNA) where: Base-Base interactions energy: -85.793 where: short stacking energy: -56.345 Base-Backbone interact. energy: -0.347 local terms energy: -59.996238 where: bonds (distance) C4'-P energy: -12.596 bonds (distance) P-C4' energy: -14.428 flat angles C4'-P-C4' energy: -12.501 flat angles P-C4'-P energy: -8.443 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: 3, replica: 7 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -134.938718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.938718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.938718 (E_RNA) where: Base-Base interactions energy: -73.505 where: short stacking energy: -44.835 Base-Backbone interact. energy: -0.703 local terms energy: -60.730867 where: bonds (distance) C4'-P energy: -14.309 bonds (distance) P-C4' energy: -13.891 flat angles C4'-P-C4' energy: -14.088 flat angles P-C4'-P energy: -8.870 tors. eta vs tors. theta energy: -9.572 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: 6 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -143.948897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.948897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.948897 (E_RNA) where: Base-Base interactions energy: -91.502 where: short stacking energy: -42.561 Base-Backbone interact. energy: -0.460 local terms energy: -51.987069 where: bonds (distance) C4'-P energy: -13.978 bonds (distance) P-C4' energy: -14.432 flat angles C4'-P-C4' energy: -8.228 flat angles P-C4'-P energy: -4.022 tors. eta vs tors. theta energy: -11.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -143.028682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.028682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.028682 (E_RNA) where: Base-Base interactions energy: -86.900 where: short stacking energy: -52.751 Base-Backbone interact. energy: -0.003 local terms energy: -56.125771 where: bonds (distance) C4'-P energy: -11.685 bonds (distance) P-C4' energy: -12.581 flat angles C4'-P-C4' energy: -11.416 flat angles P-C4'-P energy: -6.714 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: 6, replica: 1 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -91.854291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.854291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.854291 (E_RNA) where: Base-Base interactions energy: -38.827 where: short stacking energy: -38.827 Base-Backbone interact. energy: -0.115 local terms energy: -52.913001 where: bonds (distance) C4'-P energy: -11.801 bonds (distance) P-C4' energy: -13.684 flat angles C4'-P-C4' energy: -12.937 flat angles P-C4'-P energy: -10.860 tors. eta vs tors. theta energy: -3.630 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: 9 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -111.787355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.787355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.787355 (E_RNA) where: Base-Base interactions energy: -69.445 where: short stacking energy: -40.119 Base-Backbone interact. energy: -0.229 local terms energy: -42.113392 where: bonds (distance) C4'-P energy: -7.725 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -8.574 tors. eta vs tors. theta energy: -6.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -86.039683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.039683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.039683 (E_RNA) where: Base-Base interactions energy: -37.957 where: short stacking energy: -27.117 Base-Backbone interact. energy: -1.554 local terms energy: -46.527880 where: bonds (distance) C4'-P energy: -13.217 bonds (distance) P-C4' energy: -11.362 flat angles C4'-P-C4' energy: -7.885 flat angles P-C4'-P energy: -10.132 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: 9, replica: 5 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -78.948301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.948301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.948301 (E_RNA) where: Base-Base interactions energy: -37.913 where: short stacking energy: -32.778 Base-Backbone interact. energy: -1.188 local terms energy: -39.847149 where: bonds (distance) C4'-P energy: -9.809 bonds (distance) P-C4' energy: -11.575 flat angles C4'-P-C4' energy: -10.564 flat angles P-C4'-P energy: -4.801 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: 10 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -75.166696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.166696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.166696 (E_RNA) where: Base-Base interactions energy: -26.702 where: short stacking energy: -26.702 Base-Backbone interact. energy: 0.487 local terms energy: -48.951231 where: bonds (distance) C4'-P energy: -12.062 bonds (distance) P-C4' energy: -15.559 flat angles C4'-P-C4' energy: -13.070 flat angles P-C4'-P energy: -5.610 tors. eta vs tors. theta energy: -2.650 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: 4 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -174.744496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.744496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.744496 (E_RNA) where: Base-Base interactions energy: -113.855 where: short stacking energy: -68.973 Base-Backbone interact. energy: -0.180 local terms energy: -60.709350 where: bonds (distance) C4'-P energy: -7.433 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -10.452 flat angles P-C4'-P energy: -12.563 tors. eta vs tors. theta energy: -14.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -136.359065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.359065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.359065 (E_RNA) where: Base-Base interactions energy: -84.285 where: short stacking energy: -54.266 Base-Backbone interact. energy: 0.397 local terms energy: -52.471356 where: bonds (distance) C4'-P energy: -11.980 bonds (distance) P-C4' energy: -10.301 flat angles C4'-P-C4' energy: -12.195 flat angles P-C4'-P energy: -7.604 tors. eta vs tors. theta energy: -10.392 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: 2 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -136.373989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.373989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.373989 (E_RNA) where: Base-Base interactions energy: -76.215 where: short stacking energy: -49.347 Base-Backbone interact. energy: -0.213 local terms energy: -59.946500 where: bonds (distance) C4'-P energy: -13.672 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -13.148 flat angles P-C4'-P energy: -7.673 tors. eta vs tors. theta energy: -10.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -142.827830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.827830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.827830 (E_RNA) where: Base-Base interactions energy: -85.406 where: short stacking energy: -58.515 Base-Backbone interact. energy: -0.026 local terms energy: -57.395236 where: bonds (distance) C4'-P energy: -10.640 bonds (distance) P-C4' energy: -13.459 flat angles C4'-P-C4' energy: -10.648 flat angles P-C4'-P energy: -10.810 tors. eta vs tors. theta energy: -11.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -136.177231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.177231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.177231 (E_RNA) where: Base-Base interactions energy: -82.750 where: short stacking energy: -59.447 Base-Backbone interact. energy: -0.053 local terms energy: -53.374349 where: bonds (distance) C4'-P energy: -11.495 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -8.894 flat angles P-C4'-P energy: -6.797 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: 6, replica: 9 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -135.149934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.149934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.149934 (E_RNA) where: Base-Base interactions energy: -83.028 where: short stacking energy: -47.302 Base-Backbone interact. energy: -0.083 local terms energy: -52.038995 where: bonds (distance) C4'-P energy: -10.755 bonds (distance) P-C4' energy: -10.824 flat angles C4'-P-C4' energy: -13.027 flat angles P-C4'-P energy: -8.658 tors. eta vs tors. theta energy: -8.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -88.902793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.902793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.902793 (E_RNA) where: Base-Base interactions energy: -44.240 where: short stacking energy: -44.240 Base-Backbone interact. energy: -0.001 local terms energy: -44.661721 where: bonds (distance) C4'-P energy: -8.413 bonds (distance) P-C4' energy: -11.936 flat angles C4'-P-C4' energy: -7.581 flat angles P-C4'-P energy: -7.385 tors. eta vs tors. theta energy: -9.347 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: 5 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -89.632961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.632961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.632961 (E_RNA) where: Base-Base interactions energy: -38.260 where: short stacking energy: -34.003 Base-Backbone interact. energy: -0.069 local terms energy: -51.303557 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -11.275 flat angles C4'-P-C4' energy: -13.571 flat angles P-C4'-P energy: -7.413 tors. eta vs tors. theta energy: -4.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -72.508827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.508827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.508827 (E_RNA) where: Base-Base interactions energy: -26.576 where: short stacking energy: -26.576 Base-Backbone interact. energy: 0.211 local terms energy: -46.143494 where: bonds (distance) C4'-P energy: -7.653 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -9.724 flat angles P-C4'-P energy: -10.295 tors. eta vs tors. theta energy: -4.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -77.542057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.542057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.542057 (E_RNA) where: Base-Base interactions energy: -30.875 where: short stacking energy: -30.875 Base-Backbone interact. energy: -0.218 local terms energy: -46.449640 where: bonds (distance) C4'-P energy: -10.276 bonds (distance) P-C4' energy: -14.265 flat angles C4'-P-C4' energy: -13.264 flat angles P-C4'-P energy: -8.318 tors. eta vs tors. theta energy: -0.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -179.870314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.870314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.870314 (E_RNA) where: Base-Base interactions energy: -116.365 where: short stacking energy: -66.162 Base-Backbone interact. energy: -1.401 local terms energy: -62.104140 where: bonds (distance) C4'-P energy: -12.202 bonds (distance) P-C4' energy: -12.244 flat angles C4'-P-C4' energy: -13.763 flat angles P-C4'-P energy: -11.475 tors. eta vs tors. theta energy: -12.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -153.624524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.624524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.624524 (E_RNA) where: Base-Base interactions energy: -89.360 where: short stacking energy: -57.905 Base-Backbone interact. energy: -0.199 local terms energy: -64.065772 where: bonds (distance) C4'-P energy: -11.655 bonds (distance) P-C4' energy: -14.532 flat angles C4'-P-C4' energy: -13.328 flat angles P-C4'-P energy: -9.888 tors. eta vs tors. theta energy: -14.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -138.164412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.164412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.164412 (E_RNA) where: Base-Base interactions energy: -80.190 where: short stacking energy: -51.987 Base-Backbone interact. energy: -0.423 local terms energy: -57.551055 where: bonds (distance) C4'-P energy: -12.567 bonds (distance) P-C4' energy: -13.050 flat angles C4'-P-C4' energy: -13.678 flat angles P-C4'-P energy: -9.260 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: 4, replica: 2 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -138.035367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.035367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.035367 (E_RNA) where: Base-Base interactions energy: -79.734 where: short stacking energy: -43.954 Base-Backbone interact. energy: -0.187 local terms energy: -58.114751 where: bonds (distance) C4'-P energy: -11.701 bonds (distance) P-C4' energy: -12.825 flat angles C4'-P-C4' energy: -11.533 flat angles P-C4'-P energy: -10.455 tors. eta vs tors. theta energy: -11.600 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: 9 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -140.702712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.702712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.702712 (E_RNA) where: Base-Base interactions energy: -84.549 where: short stacking energy: -50.308 Base-Backbone interact. energy: -0.176 local terms energy: -55.977681 where: bonds (distance) C4'-P energy: -10.729 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -11.250 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -15.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -128.458060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.458060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.458060 (E_RNA) where: Base-Base interactions energy: -74.430 where: short stacking energy: -48.126 Base-Backbone interact. energy: -0.060 local terms energy: -53.968343 where: bonds (distance) C4'-P energy: -14.773 bonds (distance) P-C4' energy: -13.594 flat angles C4'-P-C4' energy: -9.796 flat angles P-C4'-P energy: -8.236 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: 5 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -92.618470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.618470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.618470 (E_RNA) where: Base-Base interactions energy: -42.219 where: short stacking energy: -41.912 Base-Backbone interact. energy: -0.025 local terms energy: -50.375200 where: bonds (distance) C4'-P energy: -11.681 bonds (distance) P-C4' energy: -13.778 flat angles C4'-P-C4' energy: -12.576 flat angles P-C4'-P energy: -5.889 tors. eta vs tors. theta energy: -6.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -79.954215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.954215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.954215 (E_RNA) where: Base-Base interactions energy: -41.157 where: short stacking energy: -39.716 Base-Backbone interact. energy: -0.208 local terms energy: -38.589269 where: bonds (distance) C4'-P energy: -10.712 bonds (distance) P-C4' energy: -6.717 flat angles C4'-P-C4' energy: -9.372 flat angles P-C4'-P energy: -7.039 tors. eta vs tors. theta energy: -4.750 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: 10 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -83.546712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.546712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.546712 (E_RNA) where: Base-Base interactions energy: -32.332 where: short stacking energy: -32.332 Base-Backbone interact. energy: -0.002 local terms energy: -51.212624 where: bonds (distance) C4'-P energy: -11.846 bonds (distance) P-C4' energy: -11.332 flat angles C4'-P-C4' energy: -12.142 flat angles P-C4'-P energy: -8.308 tors. eta vs tors. theta energy: -7.584 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: 3 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -76.950165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.950165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.950165 (E_RNA) where: Base-Base interactions energy: -33.710 where: short stacking energy: -33.710 Base-Backbone interact. energy: -0.010 local terms energy: -43.230142 where: bonds (distance) C4'-P energy: -11.652 bonds (distance) P-C4' energy: -13.778 flat angles C4'-P-C4' energy: -7.597 flat angles P-C4'-P energy: -2.826 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: 1, replica: 4 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -163.441248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.441248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.441248 (E_RNA) where: Base-Base interactions energy: -101.865 where: short stacking energy: -63.685 Base-Backbone interact. energy: -0.008 local terms energy: -61.567452 where: bonds (distance) C4'-P energy: -13.404 bonds (distance) P-C4' energy: -14.939 flat angles C4'-P-C4' energy: -14.456 flat angles P-C4'-P energy: -7.885 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: 2, replica: 7 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -139.351419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.351419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.351419 (E_RNA) where: Base-Base interactions energy: -81.562 where: short stacking energy: -49.511 Base-Backbone interact. energy: -0.104 local terms energy: -57.685037 where: bonds (distance) C4'-P energy: -13.233 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -12.200 flat angles P-C4'-P energy: -6.005 tors. eta vs tors. theta energy: -12.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -146.849566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.849566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.849566 (E_RNA) where: Base-Base interactions energy: -82.693 where: short stacking energy: -52.508 Base-Backbone interact. energy: -0.000 local terms energy: -64.155654 where: bonds (distance) C4'-P energy: -11.780 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -15.263 flat angles P-C4'-P energy: -8.445 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: 4, replica: 9 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -144.400925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.400925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.400925 (E_RNA) where: Base-Base interactions energy: -81.584 where: short stacking energy: -56.664 Base-Backbone interact. energy: -0.002 local terms energy: -62.814308 where: bonds (distance) C4'-P energy: -11.817 bonds (distance) P-C4' energy: -15.470 flat angles C4'-P-C4' energy: -14.564 flat angles P-C4'-P energy: -8.782 tors. eta vs tors. theta energy: -12.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -136.503587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.503587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.503587 (E_RNA) where: Base-Base interactions energy: -76.267 where: short stacking energy: -49.240 Base-Backbone interact. energy: -0.041 local terms energy: -60.195920 where: bonds (distance) C4'-P energy: -11.892 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -13.820 flat angles P-C4'-P energy: -8.257 tors. eta vs tors. theta energy: -12.308 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: 8 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -155.301743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.301743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.301743 (E_RNA) where: Base-Base interactions energy: -98.053 where: short stacking energy: -61.706 Base-Backbone interact. energy: -0.072 local terms energy: -57.177596 where: bonds (distance) C4'-P energy: -10.276 bonds (distance) P-C4' energy: -12.914 flat angles C4'-P-C4' energy: -10.011 flat angles P-C4'-P energy: -10.501 tors. eta vs tors. theta energy: -13.475 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: 5 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -87.869134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.869134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.869134 (E_RNA) where: Base-Base interactions energy: -34.665 where: short stacking energy: -27.643 Base-Backbone interact. energy: -0.076 local terms energy: -53.128997 where: bonds (distance) C4'-P energy: -12.369 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -14.006 flat angles P-C4'-P energy: -8.834 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: 10 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -82.320076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.320076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.320076 (E_RNA) where: Base-Base interactions energy: -47.902 where: short stacking energy: -42.177 Base-Backbone interact. energy: -0.040 local terms energy: -34.378090 where: bonds (distance) C4'-P energy: -11.345 bonds (distance) P-C4' energy: -10.326 flat angles C4'-P-C4' energy: -3.796 flat angles P-C4'-P energy: -3.540 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: 9, replica: 1 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -73.225713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.225713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.225713 (E_RNA) where: Base-Base interactions energy: -30.959 where: short stacking energy: -27.134 Base-Backbone interact. energy: 0.468 local terms energy: -42.734473 where: bonds (distance) C4'-P energy: -9.186 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -8.855 flat angles P-C4'-P energy: -10.118 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: 10, replica: 3 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -80.453245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.453245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.453245 (E_RNA) where: Base-Base interactions energy: -27.627 where: short stacking energy: -27.548 Base-Backbone interact. energy: 0.366 local terms energy: -53.192401 where: bonds (distance) C4'-P energy: -14.503 bonds (distance) P-C4' energy: -15.508 flat angles C4'-P-C4' energy: -11.577 flat angles P-C4'-P energy: -8.748 tors. eta vs tors. theta energy: -2.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -179.786280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.786280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.786280 (E_RNA) where: Base-Base interactions energy: -114.746 where: short stacking energy: -67.090 Base-Backbone interact. energy: -0.582 local terms energy: -64.458809 where: bonds (distance) C4'-P energy: -14.355 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -13.090 flat angles P-C4'-P energy: -8.444 tors. eta vs tors. theta energy: -14.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -150.402802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.402802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.402802 (E_RNA) where: Base-Base interactions energy: -88.288 where: short stacking energy: -58.206 Base-Backbone interact. energy: -0.048 local terms energy: -62.066726 where: bonds (distance) C4'-P energy: -13.883 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -11.908 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -16.147 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: 474 Temperature: 1.000000 Total energy: -143.345323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.345323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.345323 (E_RNA) where: Base-Base interactions energy: -86.042 where: short stacking energy: -53.177 Base-Backbone interact. energy: -0.113 local terms energy: -57.190903 where: bonds (distance) C4'-P energy: -12.773 bonds (distance) P-C4' energy: -11.310 flat angles C4'-P-C4' energy: -10.364 flat angles P-C4'-P energy: -10.541 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: 4, replica: 9 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -145.032883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.032883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.032883 (E_RNA) where: Base-Base interactions energy: -85.051 where: short stacking energy: -49.692 Base-Backbone interact. energy: -0.012 local terms energy: -59.969481 where: bonds (distance) C4'-P energy: -12.148 bonds (distance) P-C4' energy: -14.016 flat angles C4'-P-C4' energy: -15.506 flat angles P-C4'-P energy: -5.786 tors. eta vs tors. theta energy: -12.514 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: 474 Temperature: 1.100000 Total energy: -130.741367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.741367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.741367 (E_RNA) where: Base-Base interactions energy: -79.846 where: short stacking energy: -47.068 Base-Backbone interact. energy: 0.427 local terms energy: -51.322522 where: bonds (distance) C4'-P energy: -9.027 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -11.377 flat angles P-C4'-P energy: -10.496 tors. eta vs tors. theta energy: -5.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -131.390136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.390136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.390136 (E_RNA) where: Base-Base interactions energy: -75.496 where: short stacking energy: -46.696 Base-Backbone interact. energy: 0.144 local terms energy: -56.038704 where: bonds (distance) C4'-P energy: -13.321 bonds (distance) P-C4' energy: -11.986 flat angles C4'-P-C4' energy: -16.125 flat angles P-C4'-P energy: -5.887 tors. eta vs tors. theta energy: -8.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -90.595718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.595718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.595718 (E_RNA) where: Base-Base interactions energy: -46.944 where: short stacking energy: -23.678 Base-Backbone interact. energy: -0.106 local terms energy: -43.546016 where: bonds (distance) C4'-P energy: -14.148 bonds (distance) P-C4' energy: -11.356 flat angles C4'-P-C4' energy: -7.923 flat angles P-C4'-P energy: -9.069 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: 8, replica: 5 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -78.202301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.202301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.202301 (E_RNA) where: Base-Base interactions energy: -24.301 where: short stacking energy: -24.301 Base-Backbone interact. energy: -0.772 local terms energy: -53.129866 where: bonds (distance) C4'-P energy: -12.843 bonds (distance) P-C4' energy: -11.134 flat angles C4'-P-C4' energy: -8.754 flat angles P-C4'-P energy: -10.635 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: 9, replica: 3 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -88.139029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.139029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.139029 (E_RNA) where: Base-Base interactions energy: -42.440 where: short stacking energy: -38.197 Base-Backbone interact. energy: -0.226 local terms energy: -45.472459 where: bonds (distance) C4'-P energy: -13.880 bonds (distance) P-C4' energy: -10.530 flat angles C4'-P-C4' energy: -12.110 flat angles P-C4'-P energy: -4.133 tors. eta vs tors. theta energy: -4.820 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: 1 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -69.252480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.252480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.252480 (E_RNA) where: Base-Base interactions energy: -27.291 where: short stacking energy: -23.913 Base-Backbone interact. energy: -0.168 local terms energy: -41.793199 where: bonds (distance) C4'-P energy: -11.032 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -10.032 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -4.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -169.286552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.286552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.286552 (E_RNA) where: Base-Base interactions energy: -107.252 where: short stacking energy: -59.513 Base-Backbone interact. energy: -0.478 local terms energy: -61.556777 where: bonds (distance) C4'-P energy: -13.660 bonds (distance) P-C4' energy: -13.934 flat angles C4'-P-C4' energy: -11.604 flat angles P-C4'-P energy: -9.442 tors. eta vs tors. theta energy: -12.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -148.608099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.608099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.608099 (E_RNA) where: Base-Base interactions energy: -87.610 where: short stacking energy: -63.379 Base-Backbone interact. energy: -0.002 local terms energy: -60.997062 where: bonds (distance) C4'-P energy: -12.844 bonds (distance) P-C4' energy: -13.052 flat angles C4'-P-C4' energy: -12.888 flat angles P-C4'-P energy: -8.000 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: 3, replica: 7 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -139.275872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.275872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.275872 (E_RNA) where: Base-Base interactions energy: -82.798 where: short stacking energy: -51.424 Base-Backbone interact. energy: -0.722 local terms energy: -55.756264 where: bonds (distance) C4'-P energy: -14.148 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -13.306 flat angles P-C4'-P energy: -4.423 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: 4, replica: 8 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -148.501594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.501594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.501594 (E_RNA) where: Base-Base interactions energy: -88.434 where: short stacking energy: -53.868 Base-Backbone interact. energy: 0.777 local terms energy: -60.845094 where: bonds (distance) C4'-P energy: -10.927 bonds (distance) P-C4' energy: -13.584 flat angles C4'-P-C4' energy: -13.888 flat angles P-C4'-P energy: -10.754 tors. eta vs tors. theta energy: -11.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -126.002539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.002539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.002539 (E_RNA) where: Base-Base interactions energy: -80.141 where: short stacking energy: -49.220 Base-Backbone interact. energy: -0.070 local terms energy: -45.791558 where: bonds (distance) C4'-P energy: -9.752 bonds (distance) P-C4' energy: -10.775 flat angles C4'-P-C4' energy: -10.819 flat angles P-C4'-P energy: -4.622 tors. eta vs tors. theta energy: -9.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -138.139186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.139186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.139186 (E_RNA) where: Base-Base interactions energy: -79.086 where: short stacking energy: -45.060 Base-Backbone interact. energy: -0.000 local terms energy: -59.053217 where: bonds (distance) C4'-P energy: -10.878 bonds (distance) P-C4' energy: -13.313 flat angles C4'-P-C4' energy: -13.618 flat angles P-C4'-P energy: -10.144 tors. eta vs tors. theta energy: -11.101 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: 475 Temperature: 1.200000 Total energy: -84.245897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.245897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.245897 (E_RNA) where: Base-Base interactions energy: -43.808 where: short stacking energy: -43.808 Base-Backbone interact. energy: -0.031 local terms energy: -40.405992 where: bonds (distance) C4'-P energy: -5.727 bonds (distance) P-C4' energy: -8.559 flat angles C4'-P-C4' energy: -10.322 flat angles P-C4'-P energy: -8.956 tors. eta vs tors. theta energy: -6.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -100.637486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.637486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.637486 (E_RNA) where: Base-Base interactions energy: -50.801 where: short stacking energy: -47.257 Base-Backbone interact. energy: -0.052 local terms energy: -49.785293 where: bonds (distance) C4'-P energy: -12.033 bonds (distance) P-C4' energy: -9.557 flat angles C4'-P-C4' energy: -12.847 flat angles P-C4'-P energy: -6.883 tors. eta vs tors. theta energy: -8.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -79.867795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.867795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.867795 (E_RNA) where: Base-Base interactions energy: -31.953 where: short stacking energy: -28.402 Base-Backbone interact. energy: -0.161 local terms energy: -47.754423 where: bonds (distance) C4'-P energy: -12.844 bonds (distance) P-C4' energy: -8.177 flat angles C4'-P-C4' energy: -9.793 flat angles P-C4'-P energy: -10.705 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: 1 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -69.385350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.385350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.385350 (E_RNA) where: Base-Base interactions energy: -24.036 where: short stacking energy: -24.036 Base-Backbone interact. energy: -0.116 local terms energy: -45.233068 where: bonds (distance) C4'-P energy: -10.240 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -12.931 flat angles P-C4'-P energy: -6.339 tors. eta vs tors. theta energy: -1.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -170.101991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.101991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.101991 (E_RNA) where: Base-Base interactions energy: -110.791 where: short stacking energy: -61.951 Base-Backbone interact. energy: -0.424 local terms energy: -58.887054 where: bonds (distance) C4'-P energy: -14.823 bonds (distance) P-C4' energy: -10.812 flat angles C4'-P-C4' energy: -13.844 flat angles P-C4'-P energy: -7.314 tors. eta vs tors. theta energy: -12.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -156.791474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.791474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.791474 (E_RNA) where: Base-Base interactions energy: -97.422 where: short stacking energy: -64.366 Base-Backbone interact. energy: -0.030 local terms energy: -59.339529 where: bonds (distance) C4'-P energy: -8.063 bonds (distance) P-C4' energy: -14.607 flat angles C4'-P-C4' energy: -12.920 flat angles P-C4'-P energy: -10.005 tors. eta vs tors. theta energy: -13.744 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: 7 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -146.415511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.415511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.415511 (E_RNA) where: Base-Base interactions energy: -87.133 where: short stacking energy: -51.840 Base-Backbone interact. energy: -0.042 local terms energy: -59.239907 where: bonds (distance) C4'-P energy: -14.583 bonds (distance) P-C4' energy: -10.830 flat angles C4'-P-C4' energy: -14.493 flat angles P-C4'-P energy: -8.304 tors. eta vs tors. theta energy: -11.030 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: 8 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -138.729361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.729361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.729361 (E_RNA) where: Base-Base interactions energy: -84.753 where: short stacking energy: -52.014 Base-Backbone interact. energy: -0.261 local terms energy: -53.715729 where: bonds (distance) C4'-P energy: -7.694 bonds (distance) P-C4' energy: -14.414 flat angles C4'-P-C4' energy: -14.303 flat angles P-C4'-P energy: -7.908 tors. eta vs tors. theta energy: -9.396 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: 5, replica: 2 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -138.888312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.888312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.888312 (E_RNA) where: Base-Base interactions energy: -80.155 where: short stacking energy: -43.709 Base-Backbone interact. energy: -0.296 local terms energy: -58.436847 where: bonds (distance) C4'-P energy: -11.573 bonds (distance) P-C4' energy: -12.441 flat angles C4'-P-C4' energy: -13.573 flat angles P-C4'-P energy: -9.359 tors. eta vs tors. theta energy: -11.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -128.814690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.814690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.814690 (E_RNA) where: Base-Base interactions energy: -80.927 where: short stacking energy: -44.990 Base-Backbone interact. energy: -0.394 local terms energy: -47.493471 where: bonds (distance) C4'-P energy: -9.591 bonds (distance) P-C4' energy: -13.198 flat angles C4'-P-C4' energy: -10.410 flat angles P-C4'-P energy: -5.596 tors. eta vs tors. theta energy: -8.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -90.493105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.493105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.493105 (E_RNA) where: Base-Base interactions energy: -47.607 where: short stacking energy: -37.953 Base-Backbone interact. energy: -0.112 local terms energy: -42.773962 where: bonds (distance) C4'-P energy: -11.296 bonds (distance) P-C4' energy: -9.354 flat angles C4'-P-C4' energy: -9.791 flat angles P-C4'-P energy: -9.251 tors. eta vs tors. theta energy: -3.082 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: 10 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -82.805644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.805644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.805644 (E_RNA) where: Base-Base interactions energy: -31.417 where: short stacking energy: -30.461 Base-Backbone interact. energy: -0.173 local terms energy: -51.215452 where: bonds (distance) C4'-P energy: -11.398 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -11.034 flat angles P-C4'-P energy: -9.534 tors. eta vs tors. theta energy: -4.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -88.279966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.279966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.279966 (E_RNA) where: Base-Base interactions energy: -34.983 where: short stacking energy: -34.983 Base-Backbone interact. energy: -0.011 local terms energy: -53.285848 where: bonds (distance) C4'-P energy: -11.424 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -10.862 flat angles P-C4'-P energy: -9.827 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: 10, replica: 1 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -77.485386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.485386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.485386 (E_RNA) where: Base-Base interactions energy: -31.160 where: short stacking energy: -27.937 Base-Backbone interact. energy: -0.198 local terms energy: -46.127465 where: bonds (distance) C4'-P energy: -10.724 bonds (distance) P-C4' energy: -11.620 flat angles C4'-P-C4' energy: -12.448 flat angles P-C4'-P energy: -7.371 tors. eta vs tors. theta energy: -3.964 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: 4 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -173.168711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.168711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.168711 (E_RNA) where: Base-Base interactions energy: -109.996 where: short stacking energy: -67.219 Base-Backbone interact. energy: -0.790 local terms energy: -62.382651 where: bonds (distance) C4'-P energy: -13.249 bonds (distance) P-C4' energy: -12.002 flat angles C4'-P-C4' energy: -10.250 flat angles P-C4'-P energy: -9.214 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: 6 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -151.559950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.559950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.559950 (E_RNA) where: Base-Base interactions energy: -88.829 where: short stacking energy: -59.713 Base-Backbone interact. energy: -0.003 local terms energy: -62.728432 where: bonds (distance) C4'-P energy: -13.920 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -12.823 flat angles P-C4'-P energy: -7.883 tors. eta vs tors. theta energy: -14.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -134.663788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.663788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.663788 (E_RNA) where: Base-Base interactions energy: -79.608 where: short stacking energy: -54.485 Base-Backbone interact. energy: -0.247 local terms energy: -54.808248 where: bonds (distance) C4'-P energy: -12.541 bonds (distance) P-C4' energy: -11.760 flat angles C4'-P-C4' energy: -11.489 flat angles P-C4'-P energy: -7.215 tors. eta vs tors. theta energy: -11.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -144.899957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.899957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.899957 (E_RNA) where: Base-Base interactions energy: -85.391 where: short stacking energy: -51.234 Base-Backbone interact. energy: -0.123 local terms energy: -59.386666 where: bonds (distance) C4'-P energy: -10.848 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -13.399 flat angles P-C4'-P energy: -8.607 tors. eta vs tors. theta energy: -12.575 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: 8 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -140.239613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.239613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.239613 (E_RNA) where: Base-Base interactions energy: -80.827 where: short stacking energy: -51.829 Base-Backbone interact. energy: -0.000 local terms energy: -59.412540 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -11.143 flat angles P-C4'-P energy: -8.303 tors. eta vs tors. theta energy: -12.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -119.851108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.851108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.851108 (E_RNA) where: Base-Base interactions energy: -73.239 where: short stacking energy: -40.913 Base-Backbone interact. energy: 0.250 local terms energy: -46.861277 where: bonds (distance) C4'-P energy: -9.738 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -10.879 flat angles P-C4'-P energy: -5.671 tors. eta vs tors. theta energy: -5.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -84.508974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.508974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.508974 (E_RNA) where: Base-Base interactions energy: -41.128 where: short stacking energy: -39.530 Base-Backbone interact. energy: -0.134 local terms energy: -43.247373 where: bonds (distance) C4'-P energy: -10.517 bonds (distance) P-C4' energy: -11.495 flat angles C4'-P-C4' energy: -14.260 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: -3.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -81.198090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.198090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.198090 (E_RNA) where: Base-Base interactions energy: -39.733 where: short stacking energy: -39.652 Base-Backbone interact. energy: -0.059 local terms energy: -41.406183 where: bonds (distance) C4'-P energy: -11.361 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -8.101 flat angles P-C4'-P energy: -7.909 tors. eta vs tors. theta energy: 1.935 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: 9, replica: 10 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -85.092164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.092164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.092164 (E_RNA) where: Base-Base interactions energy: -36.976 where: short stacking energy: -35.902 Base-Backbone interact. energy: -1.343 local terms energy: -46.773401 where: bonds (distance) C4'-P energy: -9.334 bonds (distance) P-C4' energy: -9.373 flat angles C4'-P-C4' energy: -13.270 flat angles P-C4'-P energy: -4.825 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: 10, replica: 1 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -68.188964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.188964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.188964 (E_RNA) where: Base-Base interactions energy: -24.179 where: short stacking energy: -20.358 Base-Backbone interact. energy: -0.129 local terms energy: -43.880588 where: bonds (distance) C4'-P energy: -14.344 bonds (distance) P-C4' energy: -13.265 flat angles C4'-P-C4' energy: -10.740 flat angles P-C4'-P energy: -5.793 tors. eta vs tors. theta energy: 0.260 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: 4 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -182.156318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.156318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.156318 (E_RNA) where: Base-Base interactions energy: -122.250 where: short stacking energy: -68.559 Base-Backbone interact. energy: -0.262 local terms energy: -59.644479 where: bonds (distance) C4'-P energy: -10.865 bonds (distance) P-C4' energy: -13.444 flat angles C4'-P-C4' energy: -12.683 flat angles P-C4'-P energy: -8.152 tors. eta vs tors. theta energy: -14.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -154.391672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.391672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.391672 (E_RNA) where: Base-Base interactions energy: -97.109 where: short stacking energy: -60.782 Base-Backbone interact. energy: 1.152 local terms energy: -58.434359 where: bonds (distance) C4'-P energy: -10.016 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -14.253 flat angles P-C4'-P energy: -10.366 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: 3, replica: 2 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -140.364280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.364280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.364280 (E_RNA) where: Base-Base interactions energy: -76.034 where: short stacking energy: -49.539 Base-Backbone interact. energy: -0.052 local terms energy: -64.278144 where: bonds (distance) C4'-P energy: -11.261 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -15.721 flat angles P-C4'-P energy: -9.653 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: 4, replica: 7 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -135.571752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.571752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.571752 (E_RNA) where: Base-Base interactions energy: -88.340 where: short stacking energy: -52.016 Base-Backbone interact. energy: -0.012 local terms energy: -47.219626 where: bonds (distance) C4'-P energy: -7.143 bonds (distance) P-C4' energy: -10.947 flat angles C4'-P-C4' energy: -14.117 flat angles P-C4'-P energy: -6.092 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: 5, replica: 8 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -136.571456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.571456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.571456 (E_RNA) where: Base-Base interactions energy: -79.849 where: short stacking energy: -46.075 Base-Backbone interact. energy: -0.002 local terms energy: -56.720384 where: bonds (distance) C4'-P energy: -12.343 bonds (distance) P-C4' energy: -12.719 flat angles C4'-P-C4' energy: -12.161 flat angles P-C4'-P energy: -8.613 tors. eta vs tors. theta energy: -10.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -129.684247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.684247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.684247 (E_RNA) where: Base-Base interactions energy: -80.935 where: short stacking energy: -45.382 Base-Backbone interact. energy: -0.182 local terms energy: -48.567868 where: bonds (distance) C4'-P energy: -10.153 bonds (distance) P-C4' energy: -15.020 flat angles C4'-P-C4' energy: -12.802 flat angles P-C4'-P energy: -5.336 tors. eta vs tors. theta energy: -5.258 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: 7, replica: 3 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -93.978233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.978233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.978233 (E_RNA) where: Base-Base interactions energy: -36.267 where: short stacking energy: -36.267 Base-Backbone interact. energy: -0.155 local terms energy: -57.556254 where: bonds (distance) C4'-P energy: -14.077 bonds (distance) P-C4' energy: -15.068 flat angles C4'-P-C4' energy: -9.279 flat angles P-C4'-P energy: -11.945 tors. eta vs tors. theta energy: -7.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -89.337774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.337774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.337774 (E_RNA) where: Base-Base interactions energy: -36.994 where: short stacking energy: -33.976 Base-Backbone interact. energy: -0.032 local terms energy: -52.311208 where: bonds (distance) C4'-P energy: -12.851 bonds (distance) P-C4' energy: -14.320 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -8.807 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: 478 Temperature: 1.300000 Total energy: -87.395672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.395672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.395672 (E_RNA) where: Base-Base interactions energy: -40.380 where: short stacking energy: -32.608 Base-Backbone interact. energy: -0.982 local terms energy: -46.033871 where: bonds (distance) C4'-P energy: -12.583 bonds (distance) P-C4' energy: -13.621 flat angles C4'-P-C4' energy: -9.338 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: -5.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -68.608942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.608942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.608942 (E_RNA) where: Base-Base interactions energy: -29.748 where: short stacking energy: -23.991 Base-Backbone interact. energy: 1.111 local terms energy: -39.971901 where: bonds (distance) C4'-P energy: -11.403 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -9.860 flat angles P-C4'-P energy: -6.697 tors. eta vs tors. theta energy: 1.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -171.998275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.998275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.998275 (E_RNA) where: Base-Base interactions energy: -106.784 where: short stacking energy: -63.288 Base-Backbone interact. energy: -0.412 local terms energy: -64.801690 where: bonds (distance) C4'-P energy: -11.051 bonds (distance) P-C4' energy: -15.774 flat angles C4'-P-C4' energy: -12.773 flat angles P-C4'-P energy: -10.348 tors. eta vs tors. theta energy: -14.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -157.722933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.722933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.722933 (E_RNA) where: Base-Base interactions energy: -94.764 where: short stacking energy: -62.230 Base-Backbone interact. energy: -0.021 local terms energy: -62.938357 where: bonds (distance) C4'-P energy: -10.753 bonds (distance) P-C4' energy: -12.486 flat angles C4'-P-C4' energy: -13.859 flat angles P-C4'-P energy: -10.271 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: 3, replica: 6 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -133.743292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.743292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.743292 (E_RNA) where: Base-Base interactions energy: -78.457 where: short stacking energy: -52.133 Base-Backbone interact. energy: -0.039 local terms energy: -55.246557 where: bonds (distance) C4'-P energy: -12.524 bonds (distance) P-C4' energy: -13.360 flat angles C4'-P-C4' energy: -11.418 flat angles P-C4'-P energy: -8.999 tors. eta vs tors. theta energy: -8.945 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: 8 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -147.800499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.800499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.800499 (E_RNA) where: Base-Base interactions energy: -93.558 where: short stacking energy: -61.563 Base-Backbone interact. energy: -0.410 local terms energy: -53.832729 where: bonds (distance) C4'-P energy: -8.817 bonds (distance) P-C4' energy: -11.823 flat angles C4'-P-C4' energy: -14.485 flat angles P-C4'-P energy: -6.938 tors. eta vs tors. theta energy: -11.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -130.549286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.549286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.549286 (E_RNA) where: Base-Base interactions energy: -77.904 where: short stacking energy: -52.403 Base-Backbone interact. energy: 0.646 local terms energy: -53.291428 where: bonds (distance) C4'-P energy: -11.603 bonds (distance) P-C4' energy: -10.331 flat angles C4'-P-C4' energy: -14.199 flat angles P-C4'-P energy: -7.926 tors. eta vs tors. theta energy: -9.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -122.739879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.739879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.739879 (E_RNA) where: Base-Base interactions energy: -71.315 where: short stacking energy: -44.881 Base-Backbone interact. energy: -0.082 local terms energy: -51.343118 where: bonds (distance) C4'-P energy: -9.914 bonds (distance) P-C4' energy: -13.780 flat angles C4'-P-C4' energy: -10.682 flat angles P-C4'-P energy: -7.972 tors. eta vs tors. theta energy: -8.996 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: 3 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -89.103388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.103388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.103388 (E_RNA) where: Base-Base interactions energy: -36.534 where: short stacking energy: -36.534 Base-Backbone interact. energy: 1.182 local terms energy: -53.751221 where: bonds (distance) C4'-P energy: -10.972 bonds (distance) P-C4' energy: -13.516 flat angles C4'-P-C4' energy: -11.933 flat angles P-C4'-P energy: -9.749 tors. eta vs tors. theta energy: -7.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -84.350352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.350352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.350352 (E_RNA) where: Base-Base interactions energy: -36.352 where: short stacking energy: -19.782 Base-Backbone interact. energy: -0.117 local terms energy: -47.881756 where: bonds (distance) C4'-P energy: -13.261 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -13.523 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -0.597 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: 5 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -74.863879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.863879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.863879 (E_RNA) where: Base-Base interactions energy: -33.510 where: short stacking energy: -33.510 Base-Backbone interact. energy: -0.125 local terms energy: -41.228213 where: bonds (distance) C4'-P energy: -12.257 bonds (distance) P-C4' energy: -7.841 flat angles C4'-P-C4' energy: -11.473 flat angles P-C4'-P energy: -7.700 tors. eta vs tors. theta energy: -1.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -82.120004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.120004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.120004 (E_RNA) where: Base-Base interactions energy: -37.157 where: short stacking energy: -35.719 Base-Backbone interact. energy: 2.681 local terms energy: -47.644313 where: bonds (distance) C4'-P energy: -12.131 bonds (distance) P-C4' energy: -11.393 flat angles C4'-P-C4' energy: -13.636 flat angles P-C4'-P energy: -6.525 tors. eta vs tors. theta energy: -3.959 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: 2 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -167.845968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.845968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.845968 (E_RNA) where: Base-Base interactions energy: -102.737 where: short stacking energy: -67.269 Base-Backbone interact. energy: -0.004 local terms energy: -65.105057 where: bonds (distance) C4'-P energy: -11.014 bonds (distance) P-C4' energy: -13.842 flat angles C4'-P-C4' energy: -13.667 flat angles P-C4'-P energy: -11.599 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: 2, replica: 4 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -161.086209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.086209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.086209 (E_RNA) where: Base-Base interactions energy: -106.459 where: short stacking energy: -64.055 Base-Backbone interact. energy: -0.364 local terms energy: -54.263617 where: bonds (distance) C4'-P energy: -12.823 bonds (distance) P-C4' energy: -8.821 flat angles C4'-P-C4' energy: -13.224 flat angles P-C4'-P energy: -7.023 tors. eta vs tors. theta energy: -12.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -145.143921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.143921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.143921 (E_RNA) where: Base-Base interactions energy: -85.385 where: short stacking energy: -49.715 Base-Backbone interact. energy: -0.010 local terms energy: -59.749032 where: bonds (distance) C4'-P energy: -12.235 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -11.734 flat angles P-C4'-P energy: -11.330 tors. eta vs tors. theta energy: -10.512 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: 6 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -125.107267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.107267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.107267 (E_RNA) where: Base-Base interactions energy: -67.514 where: short stacking energy: -43.637 Base-Backbone interact. energy: -0.037 local terms energy: -57.556204 where: bonds (distance) C4'-P energy: -12.727 bonds (distance) P-C4' energy: -13.623 flat angles C4'-P-C4' energy: -13.353 flat angles P-C4'-P energy: -8.304 tors. eta vs tors. theta energy: -9.549 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: 9 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -121.452374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.452374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.452374 (E_RNA) where: Base-Base interactions energy: -66.131 where: short stacking energy: -42.827 Base-Backbone interact. energy: -0.115 local terms energy: -55.206677 where: bonds (distance) C4'-P energy: -12.364 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -12.947 flat angles P-C4'-P energy: -8.429 tors. eta vs tors. theta energy: -8.364 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: 6, replica: 7 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -109.381757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.381757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.381757 (E_RNA) where: Base-Base interactions energy: -64.507 where: short stacking energy: -32.845 Base-Backbone interact. energy: -0.111 local terms energy: -44.763886 where: bonds (distance) C4'-P energy: -12.019 bonds (distance) P-C4' energy: -12.225 flat angles C4'-P-C4' energy: -11.467 flat angles P-C4'-P energy: -3.947 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: 7, replica: 3 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -87.511193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.511193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.511193 (E_RNA) where: Base-Base interactions energy: -42.165 where: short stacking energy: -42.165 Base-Backbone interact. energy: -0.085 local terms energy: -45.261469 where: bonds (distance) C4'-P energy: -9.234 bonds (distance) P-C4' energy: -13.842 flat angles C4'-P-C4' energy: -12.345 flat angles P-C4'-P energy: -4.226 tors. eta vs tors. theta energy: -5.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -75.828005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.828005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.828005 (E_RNA) where: Base-Base interactions energy: -34.232 where: short stacking energy: -32.711 Base-Backbone interact. energy: -0.158 local terms energy: -41.438451 where: bonds (distance) C4'-P energy: -8.730 bonds (distance) P-C4' energy: -15.455 flat angles C4'-P-C4' energy: -10.899 flat angles P-C4'-P energy: -5.567 tors. eta vs tors. theta energy: -0.788 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: 5 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -77.898437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.898437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.898437 (E_RNA) where: Base-Base interactions energy: -34.897 where: short stacking energy: -20.619 Base-Backbone interact. energy: -1.003 local terms energy: -41.998851 where: bonds (distance) C4'-P energy: -4.940 bonds (distance) P-C4' energy: -11.681 flat angles C4'-P-C4' energy: -16.146 flat angles P-C4'-P energy: -6.588 tors. eta vs tors. theta energy: -2.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -79.036659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.036659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.036659 (E_RNA) where: Base-Base interactions energy: -35.606 where: short stacking energy: -35.351 Base-Backbone interact. energy: -1.039 local terms energy: -42.391603 where: bonds (distance) C4'-P energy: -9.267 bonds (distance) P-C4' energy: -10.336 flat angles C4'-P-C4' energy: -10.962 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -7.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -164.236679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.236679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.236679 (E_RNA) where: Base-Base interactions energy: -96.598 where: short stacking energy: -62.789 Base-Backbone interact. energy: -0.023 local terms energy: -67.615436 where: bonds (distance) C4'-P energy: -12.648 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -13.968 flat angles P-C4'-P energy: -8.931 tors. eta vs tors. theta energy: -16.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -163.170821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.170821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.170821 (E_RNA) where: Base-Base interactions energy: -101.935 where: short stacking energy: -60.393 Base-Backbone interact. energy: -0.905 local terms energy: -60.330778 where: bonds (distance) C4'-P energy: -12.106 bonds (distance) P-C4' energy: -14.713 flat angles C4'-P-C4' energy: -10.077 flat angles P-C4'-P energy: -10.995 tors. eta vs tors. theta energy: -12.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -138.385949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.385949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.385949 (E_RNA) where: Base-Base interactions energy: -86.296 where: short stacking energy: -58.147 Base-Backbone interact. energy: -0.000 local terms energy: -52.089379 where: bonds (distance) C4'-P energy: -7.041 bonds (distance) P-C4' energy: -14.054 flat angles C4'-P-C4' energy: -11.370 flat angles P-C4'-P energy: -8.256 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: 4, replica: 9 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -138.605561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.605561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.605561 (E_RNA) where: Base-Base interactions energy: -86.132 where: short stacking energy: -53.447 Base-Backbone interact. energy: -0.076 local terms energy: -52.398235 where: bonds (distance) C4'-P energy: -9.603 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -13.801 flat angles P-C4'-P energy: -8.245 tors. eta vs tors. theta energy: -7.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -129.834706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.834706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.834706 (E_RNA) where: Base-Base interactions energy: -74.782 where: short stacking energy: -45.067 Base-Backbone interact. energy: -0.077 local terms energy: -54.975320 where: bonds (distance) C4'-P energy: -13.618 bonds (distance) P-C4' energy: -13.555 flat angles C4'-P-C4' energy: -13.056 flat angles P-C4'-P energy: -10.103 tors. eta vs tors. theta energy: -4.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -94.099767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.099767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.099767 (E_RNA) where: Base-Base interactions energy: -43.282 where: short stacking energy: -43.282 Base-Backbone interact. energy: -0.127 local terms energy: -50.690609 where: bonds (distance) C4'-P energy: -10.811 bonds (distance) P-C4' energy: -14.127 flat angles C4'-P-C4' energy: -11.339 flat angles P-C4'-P energy: -8.391 tors. eta vs tors. theta energy: -6.022 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: 7 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -85.335996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.335996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.335996 (E_RNA) where: Base-Base interactions energy: -38.558 where: short stacking energy: -35.987 Base-Backbone interact. energy: -0.188 local terms energy: -46.589615 where: bonds (distance) C4'-P energy: -13.660 bonds (distance) P-C4' energy: -10.437 flat angles C4'-P-C4' energy: -10.236 flat angles P-C4'-P energy: -9.718 tors. eta vs tors. theta energy: -2.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -90.097504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.097504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.097504 (E_RNA) where: Base-Base interactions energy: -43.057 where: short stacking energy: -42.525 Base-Backbone interact. energy: -0.092 local terms energy: -46.948708 where: bonds (distance) C4'-P energy: -12.666 bonds (distance) P-C4' energy: -10.108 flat angles C4'-P-C4' energy: -8.005 flat angles P-C4'-P energy: -9.303 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: 9, replica: 5 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -66.933411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.933411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.933411 (E_RNA) where: Base-Base interactions energy: -24.775 where: short stacking energy: -19.001 Base-Backbone interact. energy: -1.004 local terms energy: -41.153940 where: bonds (distance) C4'-P energy: -13.784 bonds (distance) P-C4' energy: -13.874 flat angles C4'-P-C4' energy: -11.803 flat angles P-C4'-P energy: -3.302 tors. eta vs tors. theta energy: 1.608 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: 1 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -74.482293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.482293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.482293 (E_RNA) where: Base-Base interactions energy: -30.651 where: short stacking energy: -13.276 Base-Backbone interact. energy: -0.106 local terms energy: -43.724802 where: bonds (distance) C4'-P energy: -13.407 bonds (distance) P-C4' energy: -15.040 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -8.862 tors. eta vs tors. theta energy: -0.987 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: 1, replica: 2 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -172.034485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.034485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.034485 (E_RNA) where: Base-Base interactions energy: -102.660 where: short stacking energy: -67.275 Base-Backbone interact. energy: -0.639 local terms energy: -68.735156 where: bonds (distance) C4'-P energy: -14.148 bonds (distance) P-C4' energy: -13.269 flat angles C4'-P-C4' energy: -14.461 flat angles P-C4'-P energy: -10.262 tors. eta vs tors. theta energy: -16.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -148.435274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.435274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.435274 (E_RNA) where: Base-Base interactions energy: -89.988 where: short stacking energy: -46.474 Base-Backbone interact. energy: -0.267 local terms energy: -58.180073 where: bonds (distance) C4'-P energy: -12.939 bonds (distance) P-C4' energy: -15.451 flat angles C4'-P-C4' energy: -12.882 flat angles P-C4'-P energy: -6.278 tors. eta vs tors. theta energy: -10.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -138.957742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.957742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.957742 (E_RNA) where: Base-Base interactions energy: -80.938 where: short stacking energy: -50.707 Base-Backbone interact. energy: -0.468 local terms energy: -57.551987 where: bonds (distance) C4'-P energy: -14.496 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -12.408 flat angles P-C4'-P energy: -10.023 tors. eta vs tors. theta energy: -6.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -130.620748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.620748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.620748 (E_RNA) where: Base-Base interactions energy: -78.392 where: short stacking energy: -43.251 Base-Backbone interact. energy: -1.552 local terms energy: -50.676750 where: bonds (distance) C4'-P energy: -12.740 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -6.951 flat angles P-C4'-P energy: -6.511 tors. eta vs tors. theta energy: -10.215 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: 5, replica: 3 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -102.171767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.171767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.171767 (E_RNA) where: Base-Base interactions energy: -48.726 where: short stacking energy: -39.088 Base-Backbone interact. energy: -0.207 local terms energy: -53.238309 where: bonds (distance) C4'-P energy: -12.203 bonds (distance) P-C4' energy: -12.144 flat angles C4'-P-C4' energy: -15.279 flat angles P-C4'-P energy: -10.592 tors. eta vs tors. theta energy: -3.020 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: 482 Temperature: 1.150000 Total energy: -127.744497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.744497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.744497 (E_RNA) where: Base-Base interactions energy: -77.968 where: short stacking energy: -48.274 Base-Backbone interact. energy: -0.065 local terms energy: -49.711940 where: bonds (distance) C4'-P energy: -9.599 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -13.921 flat angles P-C4'-P energy: -3.118 tors. eta vs tors. theta energy: -9.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -78.169200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.169200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.169200 (E_RNA) where: Base-Base interactions energy: -32.723 where: short stacking energy: -30.209 Base-Backbone interact. energy: -0.055 local terms energy: -45.391510 where: bonds (distance) C4'-P energy: -14.438 bonds (distance) P-C4' energy: -11.220 flat angles C4'-P-C4' energy: -9.509 flat angles P-C4'-P energy: -9.025 tors. eta vs tors. theta energy: -1.199 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: 8, replica: 7 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -84.098853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.098853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.098853 (E_RNA) where: Base-Base interactions energy: -39.129 where: short stacking energy: -34.626 Base-Backbone interact. energy: -0.119 local terms energy: -44.851465 where: bonds (distance) C4'-P energy: -8.270 bonds (distance) P-C4' energy: -14.575 flat angles C4'-P-C4' energy: -7.547 flat angles P-C4'-P energy: -7.277 tors. eta vs tors. theta energy: -7.184 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: 1 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -80.087955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.087955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.087955 (E_RNA) where: Base-Base interactions energy: -36.156 where: short stacking energy: -29.778 Base-Backbone interact. energy: 0.420 local terms energy: -44.352020 where: bonds (distance) C4'-P energy: -7.003 bonds (distance) P-C4' energy: -14.985 flat angles C4'-P-C4' energy: -11.216 flat angles P-C4'-P energy: -7.370 tors. eta vs tors. theta energy: -3.779 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: 482 Temperature: 1.350000 Total energy: -73.063439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.063439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.063439 (E_RNA) where: Base-Base interactions energy: -35.468 where: short stacking energy: -33.193 Base-Backbone interact. energy: -0.190 local terms energy: -37.405671 where: bonds (distance) C4'-P energy: -8.989 bonds (distance) P-C4' energy: -11.105 flat angles C4'-P-C4' energy: -10.044 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -2.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -163.736652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.736652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.736652 (E_RNA) where: Base-Base interactions energy: -97.753 where: short stacking energy: -64.192 Base-Backbone interact. energy: -0.001 local terms energy: -65.982979 where: bonds (distance) C4'-P energy: -13.001 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -14.537 flat angles P-C4'-P energy: -8.684 tors. eta vs tors. theta energy: -16.282 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: 9 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -153.115540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.115540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.115540 (E_RNA) where: Base-Base interactions energy: -88.624 where: short stacking energy: -59.307 Base-Backbone interact. energy: -0.251 local terms energy: -64.240634 where: bonds (distance) C4'-P energy: -13.990 bonds (distance) P-C4' energy: -14.050 flat angles C4'-P-C4' energy: -11.078 flat angles P-C4'-P energy: -11.394 tors. eta vs tors. theta energy: -13.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -130.342968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.342968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.342968 (E_RNA) where: Base-Base interactions energy: -82.124 where: short stacking energy: -46.363 Base-Backbone interact. energy: -0.946 local terms energy: -47.272787 where: bonds (distance) C4'-P energy: -9.233 bonds (distance) P-C4' energy: -13.846 flat angles C4'-P-C4' energy: -8.171 flat angles P-C4'-P energy: -10.125 tors. eta vs tors. theta energy: -5.897 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: 483 Temperature: 1.050000 Total energy: -102.984521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.984521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.984521 (E_RNA) where: Base-Base interactions energy: -54.957 where: short stacking energy: -36.444 Base-Backbone interact. energy: 0.532 local terms energy: -48.560005 where: bonds (distance) C4'-P energy: -10.910 bonds (distance) P-C4' energy: -10.996 flat angles C4'-P-C4' energy: -10.598 flat angles P-C4'-P energy: -11.750 tors. eta vs tors. theta energy: -4.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -99.720370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.720370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.720370 (E_RNA) where: Base-Base interactions energy: -46.600 where: short stacking energy: -46.600 Base-Backbone interact. energy: -0.032 local terms energy: -53.088768 where: bonds (distance) C4'-P energy: -8.531 bonds (distance) P-C4' energy: -13.001 flat angles C4'-P-C4' energy: -12.780 flat angles P-C4'-P energy: -6.593 tors. eta vs tors. theta energy: -12.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -121.100327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.100327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.100327 (E_RNA) where: Base-Base interactions energy: -68.168 where: short stacking energy: -43.440 Base-Backbone interact. energy: -0.046 local terms energy: -52.886145 where: bonds (distance) C4'-P energy: -11.246 bonds (distance) P-C4' energy: -11.532 flat angles C4'-P-C4' energy: -13.578 flat angles P-C4'-P energy: -9.773 tors. eta vs tors. theta energy: -6.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -92.745696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.745696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.745696 (E_RNA) where: Base-Base interactions energy: -35.994 where: short stacking energy: -33.353 Base-Backbone interact. energy: -0.083 local terms energy: -56.668511 where: bonds (distance) C4'-P energy: -13.990 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -11.805 flat angles P-C4'-P energy: -9.479 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: 8, replica: 7 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -74.346439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.346439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.346439 (E_RNA) where: Base-Base interactions energy: -40.099 where: short stacking energy: -40.099 Base-Backbone interact. energy: -0.121 local terms energy: -34.126075 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -12.111 flat angles C4'-P-C4' energy: -4.217 flat angles P-C4'-P energy: -6.371 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: 1 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -76.920108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.920108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.920108 (E_RNA) where: Base-Base interactions energy: -33.114 where: short stacking energy: -33.114 Base-Backbone interact. energy: 1.002 local terms energy: -44.807331 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -10.534 flat angles P-C4'-P energy: -7.874 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: 10, replica: 5 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -69.723507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.723507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.723507 (E_RNA) where: Base-Base interactions energy: -27.717 where: short stacking energy: -27.717 Base-Backbone interact. energy: -1.123 local terms energy: -40.883367 where: bonds (distance) C4'-P energy: -12.960 bonds (distance) P-C4' energy: -9.415 flat angles C4'-P-C4' energy: -10.770 flat angles P-C4'-P energy: -6.949 tors. eta vs tors. theta energy: -0.789 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: 484 Temperature: 0.900000 Total energy: -169.511669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.511669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.511669 (E_RNA) where: Base-Base interactions energy: -108.655 where: short stacking energy: -72.989 Base-Backbone interact. energy: 2.243 local terms energy: -63.100050 where: bonds (distance) C4'-P energy: -11.424 bonds (distance) P-C4' energy: -16.171 flat angles C4'-P-C4' energy: -12.758 flat angles P-C4'-P energy: -7.765 tors. eta vs tors. theta energy: -14.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -136.365022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.365022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.365022 (E_RNA) where: Base-Base interactions energy: -84.831 where: short stacking energy: -55.503 Base-Backbone interact. energy: 0.490 local terms energy: -52.024279 where: bonds (distance) C4'-P energy: -10.848 bonds (distance) P-C4' energy: -12.408 flat angles C4'-P-C4' energy: -11.291 flat angles P-C4'-P energy: -7.413 tors. eta vs tors. theta energy: -10.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -123.522306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.522306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.522306 (E_RNA) where: Base-Base interactions energy: -61.400 where: short stacking energy: -61.400 Base-Backbone interact. energy: 0.681 local terms energy: -62.803668 where: bonds (distance) C4'-P energy: -11.776 bonds (distance) P-C4' energy: -14.691 flat angles C4'-P-C4' energy: -11.444 flat angles P-C4'-P energy: -10.368 tors. eta vs tors. theta energy: -14.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -136.372164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.372164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.372164 (E_RNA) where: Base-Base interactions energy: -79.140 where: short stacking energy: -48.627 Base-Backbone interact. energy: -0.052 local terms energy: -57.181063 where: bonds (distance) C4'-P energy: -13.622 bonds (distance) P-C4' energy: -13.380 flat angles C4'-P-C4' energy: -13.092 flat angles P-C4'-P energy: -9.231 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: 5, replica: 6 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -129.782235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.782235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.782235 (E_RNA) where: Base-Base interactions energy: -76.576 where: short stacking energy: -46.616 Base-Backbone interact. energy: -0.702 local terms energy: -52.504586 where: bonds (distance) C4'-P energy: -12.633 bonds (distance) P-C4' energy: -13.372 flat angles C4'-P-C4' energy: -13.209 flat angles P-C4'-P energy: -5.920 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: 6, replica: 8 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -93.251342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.251342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.251342 (E_RNA) where: Base-Base interactions energy: -34.604 where: short stacking energy: -27.674 Base-Backbone interact. energy: -0.482 local terms energy: -58.165435 where: bonds (distance) C4'-P energy: -12.769 bonds (distance) P-C4' energy: -14.967 flat angles C4'-P-C4' energy: -15.871 flat angles P-C4'-P energy: -6.724 tors. eta vs tors. theta energy: -7.834 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: 7 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -94.020734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.020734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.020734 (E_RNA) where: Base-Base interactions energy: -52.885 where: short stacking energy: -43.347 Base-Backbone interact. energy: -0.156 local terms energy: -40.979716 where: bonds (distance) C4'-P energy: -9.370 bonds (distance) P-C4' energy: -12.578 flat angles C4'-P-C4' energy: -11.662 flat angles P-C4'-P energy: -0.188 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: 8, replica: 10 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -80.484110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.484110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.484110 (E_RNA) where: Base-Base interactions energy: -34.262 where: short stacking energy: -34.196 Base-Backbone interact. energy: -0.042 local terms energy: -46.180368 where: bonds (distance) C4'-P energy: -9.846 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -7.857 flat angles P-C4'-P energy: -7.691 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: 9, replica: 1 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -80.280898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.280898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.280898 (E_RNA) where: Base-Base interactions energy: -37.334 where: short stacking energy: -37.334 Base-Backbone interact. energy: -0.016 local terms energy: -42.931217 where: bonds (distance) C4'-P energy: -7.256 bonds (distance) P-C4' energy: -11.760 flat angles C4'-P-C4' energy: -11.203 flat angles P-C4'-P energy: -8.606 tors. eta vs tors. theta energy: -4.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -80.431976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.431976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.431976 (E_RNA) where: Base-Base interactions energy: -41.523 where: short stacking energy: -30.217 Base-Backbone interact. energy: 0.539 local terms energy: -39.448313 where: bonds (distance) C4'-P energy: -8.811 bonds (distance) P-C4' energy: -13.329 flat angles C4'-P-C4' energy: -11.894 flat angles P-C4'-P energy: -5.714 tors. eta vs tors. theta energy: 0.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -165.476451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.476451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.476451 (E_RNA) where: Base-Base interactions energy: -98.247 where: short stacking energy: -63.327 Base-Backbone interact. energy: -0.002 local terms energy: -67.227190 where: bonds (distance) C4'-P energy: -13.506 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -15.316 flat angles P-C4'-P energy: -8.998 tors. eta vs tors. theta energy: -14.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -120.807962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.807962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.807962 (E_RNA) where: Base-Base interactions energy: -60.003 where: short stacking energy: -48.386 Base-Backbone interact. energy: -0.007 local terms energy: -60.797747 where: bonds (distance) C4'-P energy: -12.762 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -13.395 flat angles P-C4'-P energy: -9.152 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: 9 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -138.497132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.497132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.497132 (E_RNA) where: Base-Base interactions energy: -77.962 where: short stacking energy: -49.824 Base-Backbone interact. energy: -0.003 local terms energy: -60.532035 where: bonds (distance) C4'-P energy: -13.768 bonds (distance) P-C4' energy: -13.134 flat angles C4'-P-C4' energy: -12.115 flat angles P-C4'-P energy: -9.745 tors. eta vs tors. theta energy: -11.770 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: 6 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -147.265700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.265700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.265700 (E_RNA) where: Base-Base interactions energy: -84.974 where: short stacking energy: -58.924 Base-Backbone interact. energy: -0.055 local terms energy: -62.236687 where: bonds (distance) C4'-P energy: -13.809 bonds (distance) P-C4' energy: -10.942 flat angles C4'-P-C4' energy: -13.999 flat angles P-C4'-P energy: -12.600 tors. eta vs tors. theta energy: -10.887 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: 485 Temperature: 1.100000 Total energy: -131.013734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.013734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.013734 (E_RNA) where: Base-Base interactions energy: -68.325 where: short stacking energy: -34.802 Base-Backbone interact. energy: -0.357 local terms energy: -62.332397 where: bonds (distance) C4'-P energy: -15.953 bonds (distance) P-C4' energy: -13.068 flat angles C4'-P-C4' energy: -13.142 flat angles P-C4'-P energy: -12.453 tors. eta vs tors. theta energy: -7.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -99.656926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.656926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.656926 (E_RNA) where: Base-Base interactions energy: -51.613 where: short stacking energy: -34.015 Base-Backbone interact. energy: -0.428 local terms energy: -47.616092 where: bonds (distance) C4'-P energy: -12.083 bonds (distance) P-C4' energy: -11.242 flat angles C4'-P-C4' energy: -10.715 flat angles P-C4'-P energy: -8.088 tors. eta vs tors. theta energy: -5.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -97.385108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.385108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.385108 (E_RNA) where: Base-Base interactions energy: -42.395 where: short stacking energy: -42.184 Base-Backbone interact. energy: -0.098 local terms energy: -54.891607 where: bonds (distance) C4'-P energy: -10.961 bonds (distance) P-C4' energy: -13.124 flat angles C4'-P-C4' energy: -13.464 flat angles P-C4'-P energy: -9.070 tors. eta vs tors. theta energy: -8.273 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: 1 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -81.241183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.241183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.241183 (E_RNA) where: Base-Base interactions energy: -39.038 where: short stacking energy: -39.038 Base-Backbone interact. energy: -0.001 local terms energy: -42.202904 where: bonds (distance) C4'-P energy: -11.415 bonds (distance) P-C4' energy: -8.331 flat angles C4'-P-C4' energy: -10.476 flat angles P-C4'-P energy: -7.386 tors. eta vs tors. theta energy: -4.595 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: 10 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -73.862904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.862904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.862904 (E_RNA) where: Base-Base interactions energy: -32.876 where: short stacking energy: -32.876 Base-Backbone interact. energy: -0.020 local terms energy: -40.966719 where: bonds (distance) C4'-P energy: -9.185 bonds (distance) P-C4' energy: -12.556 flat angles C4'-P-C4' energy: -13.529 flat angles P-C4'-P energy: -2.307 tors. eta vs tors. theta energy: -3.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -74.437254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.437254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.437254 (E_RNA) where: Base-Base interactions energy: -29.145 where: short stacking energy: -28.838 Base-Backbone interact. energy: -0.677 local terms energy: -44.615465 where: bonds (distance) C4'-P energy: -9.978 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -11.998 flat angles P-C4'-P energy: -5.988 tors. eta vs tors. theta energy: -2.711 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: 2 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -170.295750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.295750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.295750 (E_RNA) where: Base-Base interactions energy: -102.990 where: short stacking energy: -58.298 Base-Backbone interact. energy: -0.003 local terms energy: -67.303181 where: bonds (distance) C4'-P energy: -14.156 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -15.474 flat angles P-C4'-P energy: -6.288 tors. eta vs tors. theta energy: -15.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -112.142287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.142287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.142287 (E_RNA) where: Base-Base interactions energy: -52.022 where: short stacking energy: -52.022 Base-Backbone interact. energy: -0.005 local terms energy: -60.114904 where: bonds (distance) C4'-P energy: -15.427 bonds (distance) P-C4' energy: -12.947 flat angles C4'-P-C4' energy: -9.011 flat angles P-C4'-P energy: -10.905 tors. eta vs tors. theta energy: -11.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -152.706789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.706789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.706789 (E_RNA) where: Base-Base interactions energy: -91.450 where: short stacking energy: -60.178 Base-Backbone interact. energy: -0.013 local terms energy: -61.244316 where: bonds (distance) C4'-P energy: -11.589 bonds (distance) P-C4' energy: -9.897 flat angles C4'-P-C4' energy: -14.478 flat angles P-C4'-P energy: -10.363 tors. eta vs tors. theta energy: -14.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -133.763425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.763425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.763425 (E_RNA) where: Base-Base interactions energy: -81.775 where: short stacking energy: -52.689 Base-Backbone interact. energy: -0.004 local terms energy: -51.984471 where: bonds (distance) C4'-P energy: -10.114 bonds (distance) P-C4' energy: -12.098 flat angles C4'-P-C4' energy: -11.661 flat angles P-C4'-P energy: -10.150 tors. eta vs tors. theta energy: -7.962 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: 5, replica: 4 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -127.132018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.132018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.132018 (E_RNA) where: Base-Base interactions energy: -78.214 where: short stacking energy: -41.793 Base-Backbone interact. energy: -0.182 local terms energy: -48.736083 where: bonds (distance) C4'-P energy: -11.519 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -12.261 flat angles P-C4'-P energy: -10.958 tors. eta vs tors. theta energy: -0.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -112.199522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.199522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.199522 (E_RNA) where: Base-Base interactions energy: -61.409 where: short stacking energy: -43.151 Base-Backbone interact. energy: -0.623 local terms energy: -50.166935 where: bonds (distance) C4'-P energy: -13.688 bonds (distance) P-C4' energy: -13.457 flat angles C4'-P-C4' energy: -10.191 flat angles P-C4'-P energy: -6.754 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: 8 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -98.588366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.588366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.588366 (E_RNA) where: Base-Base interactions energy: -48.152 where: short stacking energy: -46.461 Base-Backbone interact. energy: -0.022 local terms energy: -50.415027 where: bonds (distance) C4'-P energy: -11.276 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -12.677 flat angles P-C4'-P energy: -4.487 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: 1 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -83.113671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.113671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.113671 (E_RNA) where: Base-Base interactions energy: -34.165 where: short stacking energy: -34.165 Base-Backbone interact. energy: -0.006 local terms energy: -48.943208 where: bonds (distance) C4'-P energy: -11.316 bonds (distance) P-C4' energy: -13.335 flat angles C4'-P-C4' energy: -13.458 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: -4.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -92.640275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.640275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.640275 (E_RNA) where: Base-Base interactions energy: -44.215 where: short stacking energy: -42.285 Base-Backbone interact. energy: -0.006 local terms energy: -48.419958 where: bonds (distance) C4'-P energy: -13.010 bonds (distance) P-C4' energy: -12.986 flat angles C4'-P-C4' energy: -11.282 flat angles P-C4'-P energy: -5.366 tors. eta vs tors. theta energy: -5.776 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: 10, replica: 10 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -73.079500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.079500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.079500 (E_RNA) where: Base-Base interactions energy: -30.267 where: short stacking energy: -30.267 Base-Backbone interact. energy: 1.380 local terms energy: -44.193435 where: bonds (distance) C4'-P energy: -9.441 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -8.326 tors. eta vs tors. theta energy: -4.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -167.165703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.165703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.165703 (E_RNA) where: Base-Base interactions energy: -104.461 where: short stacking energy: -60.718 Base-Backbone interact. energy: -0.000 local terms energy: -62.704857 where: bonds (distance) C4'-P energy: -9.246 bonds (distance) P-C4' energy: -16.231 flat angles C4'-P-C4' energy: -11.612 flat angles P-C4'-P energy: -9.067 tors. eta vs tors. theta energy: -16.548 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: 6 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -146.606373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.606373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.606373 (E_RNA) where: Base-Base interactions energy: -83.864 where: short stacking energy: -52.001 Base-Backbone interact. energy: -0.045 local terms energy: -62.696964 where: bonds (distance) C4'-P energy: -14.006 bonds (distance) P-C4' energy: -14.268 flat angles C4'-P-C4' energy: -14.910 flat angles P-C4'-P energy: -9.238 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: 3, replica: 3 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -139.756348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.756348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.756348 (E_RNA) where: Base-Base interactions energy: -84.998 where: short stacking energy: -55.412 Base-Backbone interact. energy: -0.516 local terms energy: -54.242045 where: bonds (distance) C4'-P energy: -13.013 bonds (distance) P-C4' energy: -9.277 flat angles C4'-P-C4' energy: -14.508 flat angles P-C4'-P energy: -5.065 tors. eta vs tors. theta energy: -12.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -135.417351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.417351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.417351 (E_RNA) where: Base-Base interactions energy: -79.912 where: short stacking energy: -44.486 Base-Backbone interact. energy: -0.089 local terms energy: -55.415643 where: bonds (distance) C4'-P energy: -12.389 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -11.231 flat angles P-C4'-P energy: -9.008 tors. eta vs tors. theta energy: -8.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -128.430700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.430700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.430700 (E_RNA) where: Base-Base interactions energy: -76.208 where: short stacking energy: -41.055 Base-Backbone interact. energy: -0.144 local terms energy: -52.078299 where: bonds (distance) C4'-P energy: -8.083 bonds (distance) P-C4' energy: -10.521 flat angles C4'-P-C4' energy: -12.109 flat angles P-C4'-P energy: -9.146 tors. eta vs tors. theta energy: -12.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -104.066290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.066290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.066290 (E_RNA) where: Base-Base interactions energy: -55.181 where: short stacking energy: -41.993 Base-Backbone interact. energy: -0.358 local terms energy: -48.527105 where: bonds (distance) C4'-P energy: -3.473 bonds (distance) P-C4' energy: -12.468 flat angles C4'-P-C4' energy: -13.934 flat angles P-C4'-P energy: -10.571 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: 7, replica: 7 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -98.406984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.406984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.406984 (E_RNA) where: Base-Base interactions energy: -50.599 where: short stacking energy: -31.302 Base-Backbone interact. energy: -0.280 local terms energy: -47.528681 where: bonds (distance) C4'-P energy: -11.164 bonds (distance) P-C4' energy: -16.708 flat angles C4'-P-C4' energy: -10.791 flat angles P-C4'-P energy: -5.337 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: 8, replica: 1 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -87.507310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.507310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.507310 (E_RNA) where: Base-Base interactions energy: -30.645 where: short stacking energy: -30.239 Base-Backbone interact. energy: -0.022 local terms energy: -56.841201 where: bonds (distance) C4'-P energy: -13.626 bonds (distance) P-C4' energy: -14.879 flat angles C4'-P-C4' energy: -11.689 flat angles P-C4'-P energy: -10.295 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: 9, replica: 5 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -73.472881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.472881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.472881 (E_RNA) where: Base-Base interactions energy: -29.981 where: short stacking energy: -29.414 Base-Backbone interact. energy: -0.403 local terms energy: -43.088292 where: bonds (distance) C4'-P energy: -10.509 bonds (distance) P-C4' energy: -10.002 flat angles C4'-P-C4' energy: -12.618 flat angles P-C4'-P energy: -7.836 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: 10, replica: 10 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -73.000468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.000468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.000468 (E_RNA) where: Base-Base interactions energy: -32.819 where: short stacking energy: -32.819 Base-Backbone interact. energy: -0.103 local terms energy: -40.078673 where: bonds (distance) C4'-P energy: -11.944 bonds (distance) P-C4' energy: -14.230 flat angles C4'-P-C4' energy: -8.675 flat angles P-C4'-P energy: -1.457 tors. eta vs tors. theta energy: -3.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -162.854729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.854729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.854729 (E_RNA) where: Base-Base interactions energy: -101.517 where: short stacking energy: -57.721 Base-Backbone interact. energy: -0.023 local terms energy: -61.313948 where: bonds (distance) C4'-P energy: -12.657 bonds (distance) P-C4' energy: -12.014 flat angles C4'-P-C4' energy: -12.669 flat angles P-C4'-P energy: -9.352 tors. eta vs tors. theta energy: -14.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -143.371013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.371013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.371013 (E_RNA) where: Base-Base interactions energy: -85.605 where: short stacking energy: -52.312 Base-Backbone interact. energy: -0.686 local terms energy: -57.079792 where: bonds (distance) C4'-P energy: -11.564 bonds (distance) P-C4' energy: -12.933 flat angles C4'-P-C4' energy: -13.282 flat angles P-C4'-P energy: -9.253 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: 3, replica: 3 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -138.036387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.036387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.036387 (E_RNA) where: Base-Base interactions energy: -79.171 where: short stacking energy: -50.370 Base-Backbone interact. energy: -0.372 local terms energy: -58.494139 where: bonds (distance) C4'-P energy: -12.960 bonds (distance) P-C4' energy: -13.544 flat angles C4'-P-C4' energy: -12.153 flat angles P-C4'-P energy: -6.103 tors. eta vs tors. theta energy: -13.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -139.008441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.008441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.008441 (E_RNA) where: Base-Base interactions energy: -87.114 where: short stacking energy: -49.498 Base-Backbone interact. energy: 1.112 local terms energy: -53.006439 where: bonds (distance) C4'-P energy: -10.340 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -12.820 flat angles P-C4'-P energy: -6.763 tors. eta vs tors. theta energy: -10.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -130.551248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.551248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.551248 (E_RNA) where: Base-Base interactions energy: -81.676 where: short stacking energy: -44.299 Base-Backbone interact. energy: 0.952 local terms energy: -49.827242 where: bonds (distance) C4'-P energy: -10.071 bonds (distance) P-C4' energy: -14.400 flat angles C4'-P-C4' energy: -11.839 flat angles P-C4'-P energy: -6.985 tors. eta vs tors. theta energy: -6.532 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: 8 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -91.951608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.951608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.951608 (E_RNA) where: Base-Base interactions energy: -44.543 where: short stacking energy: -40.811 Base-Backbone interact. energy: -1.981 local terms energy: -45.427276 where: bonds (distance) C4'-P energy: -10.398 bonds (distance) P-C4' energy: -10.148 flat angles C4'-P-C4' energy: -11.108 flat angles P-C4'-P energy: -7.883 tors. eta vs tors. theta energy: -5.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -84.265048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.265048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.265048 (E_RNA) where: Base-Base interactions energy: -42.922 where: short stacking energy: -42.851 Base-Backbone interact. energy: -0.197 local terms energy: -41.146077 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -10.597 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -9.241 tors. eta vs tors. theta energy: -8.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -83.117579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.117579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.117579 (E_RNA) where: Base-Base interactions energy: -32.284 where: short stacking energy: -32.284 Base-Backbone interact. energy: -0.147 local terms energy: -50.687258 where: bonds (distance) C4'-P energy: -13.962 bonds (distance) P-C4' energy: -11.336 flat angles C4'-P-C4' energy: -12.120 flat angles P-C4'-P energy: -8.311 tors. eta vs tors. theta energy: -4.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -70.708217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.708217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.708217 (E_RNA) where: Base-Base interactions energy: -31.968 where: short stacking energy: -29.645 Base-Backbone interact. energy: -0.009 local terms energy: -38.731292 where: bonds (distance) C4'-P energy: -11.743 bonds (distance) P-C4' energy: -12.334 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -7.442 tors. eta vs tors. theta energy: -1.002 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: 5 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -74.636185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.636185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.636185 (E_RNA) where: Base-Base interactions energy: -35.190 where: short stacking energy: -31.969 Base-Backbone interact. energy: 1.192 local terms energy: -40.637499 where: bonds (distance) C4'-P energy: -7.360 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -10.289 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: -4.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -176.369275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.369275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.369275 (E_RNA) where: Base-Base interactions energy: -108.942 where: short stacking energy: -68.325 Base-Backbone interact. energy: -0.380 local terms energy: -67.047211 where: bonds (distance) C4'-P energy: -10.924 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -12.739 flat angles P-C4'-P energy: -10.609 tors. eta vs tors. theta energy: -16.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -145.744106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.744106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.744106 (E_RNA) where: Base-Base interactions energy: -84.375 where: short stacking energy: -52.581 Base-Backbone interact. energy: -0.074 local terms energy: -61.295231 where: bonds (distance) C4'-P energy: -14.582 bonds (distance) P-C4' energy: -12.709 flat angles C4'-P-C4' energy: -11.443 flat angles P-C4'-P energy: -7.222 tors. eta vs tors. theta energy: -15.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -146.670812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.670812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.670812 (E_RNA) where: Base-Base interactions energy: -93.574 where: short stacking energy: -51.533 Base-Backbone interact. energy: 0.262 local terms energy: -53.359023 where: bonds (distance) C4'-P energy: -12.009 bonds (distance) P-C4' energy: -11.968 flat angles C4'-P-C4' energy: -11.958 flat angles P-C4'-P energy: -6.571 tors. eta vs tors. theta energy: -10.854 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: 4 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -125.947017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.947017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.947017 (E_RNA) where: Base-Base interactions energy: -66.715 where: short stacking energy: -43.413 Base-Backbone interact. energy: 0.022 local terms energy: -59.254641 where: bonds (distance) C4'-P energy: -13.076 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -13.225 flat angles P-C4'-P energy: -9.929 tors. eta vs tors. theta energy: -8.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -128.035344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.035344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.035344 (E_RNA) where: Base-Base interactions energy: -67.467 where: short stacking energy: -35.106 Base-Backbone interact. energy: -0.163 local terms energy: -60.404836 where: bonds (distance) C4'-P energy: -14.611 bonds (distance) P-C4' energy: -14.464 flat angles C4'-P-C4' energy: -12.909 flat angles P-C4'-P energy: -10.088 tors. eta vs tors. theta energy: -8.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -101.736463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.736463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.736463 (E_RNA) where: Base-Base interactions energy: -49.802 where: short stacking energy: -49.802 Base-Backbone interact. energy: -0.048 local terms energy: -51.886670 where: bonds (distance) C4'-P energy: -5.676 bonds (distance) P-C4' energy: -9.310 flat angles C4'-P-C4' energy: -14.948 flat angles P-C4'-P energy: -12.274 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: 7, replica: 8 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -89.697811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.697811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.697811 (E_RNA) where: Base-Base interactions energy: -35.557 where: short stacking energy: -35.557 Base-Backbone interact. energy: -0.186 local terms energy: -53.955024 where: bonds (distance) C4'-P energy: -11.440 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -13.447 flat angles P-C4'-P energy: -7.599 tors. eta vs tors. theta energy: -7.268 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: 8, replica: 10 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -84.273816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.273816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.273816 (E_RNA) where: Base-Base interactions energy: -31.981 where: short stacking energy: -33.970 Base-Backbone interact. energy: -0.146 local terms energy: -52.147384 where: bonds (distance) C4'-P energy: -7.677 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -14.526 flat angles P-C4'-P energy: -8.693 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: 9, replica: 7 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -90.564654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.564654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.564654 (E_RNA) where: Base-Base interactions energy: -46.092 where: short stacking energy: -46.092 Base-Backbone interact. energy: -0.547 local terms energy: -43.925710 where: bonds (distance) C4'-P energy: -11.109 bonds (distance) P-C4' energy: -10.509 flat angles C4'-P-C4' energy: -7.025 flat angles P-C4'-P energy: -8.108 tors. eta vs tors. theta energy: -7.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -75.919742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.919742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.919742 (E_RNA) where: Base-Base interactions energy: -31.687 where: short stacking energy: -26.646 Base-Backbone interact. energy: -0.230 local terms energy: -44.003146 where: bonds (distance) C4'-P energy: -9.726 bonds (distance) P-C4' energy: -11.380 flat angles C4'-P-C4' energy: -9.137 flat angles P-C4'-P energy: -10.191 tors. eta vs tors. theta energy: -3.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -157.826598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.826598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.826598 (E_RNA) where: Base-Base interactions energy: -91.660 where: short stacking energy: -53.591 Base-Backbone interact. energy: -0.189 local terms energy: -65.977989 where: bonds (distance) C4'-P energy: -13.763 bonds (distance) P-C4' energy: -14.557 flat angles C4'-P-C4' energy: -16.004 flat angles P-C4'-P energy: -8.845 tors. eta vs tors. theta energy: -12.809 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: 490 Temperature: 0.950000 Total energy: -165.683496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.683496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.683496 (E_RNA) where: Base-Base interactions energy: -102.290 where: short stacking energy: -66.431 Base-Backbone interact. energy: -0.028 local terms energy: -63.365396 where: bonds (distance) C4'-P energy: -12.193 bonds (distance) P-C4' energy: -12.563 flat angles C4'-P-C4' energy: -13.660 flat angles P-C4'-P energy: -8.540 tors. eta vs tors. theta energy: -16.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -159.664555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.664555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.664555 (E_RNA) where: Base-Base interactions energy: -93.700 where: short stacking energy: -56.545 Base-Backbone interact. energy: -0.066 local terms energy: -65.898849 where: bonds (distance) C4'-P energy: -16.445 bonds (distance) P-C4' energy: -15.064 flat angles C4'-P-C4' energy: -13.054 flat angles P-C4'-P energy: -10.900 tors. eta vs tors. theta energy: -10.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -142.196671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.196671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.196671 (E_RNA) where: Base-Base interactions energy: -85.020 where: short stacking energy: -53.435 Base-Backbone interact. energy: -0.102 local terms energy: -57.074330 where: bonds (distance) C4'-P energy: -13.321 bonds (distance) P-C4' energy: -11.843 flat angles C4'-P-C4' energy: -12.553 flat angles P-C4'-P energy: -8.242 tors. eta vs tors. theta energy: -11.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -143.187572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.187572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.187572 (E_RNA) where: Base-Base interactions energy: -83.328 where: short stacking energy: -50.358 Base-Backbone interact. energy: -0.006 local terms energy: -59.853492 where: bonds (distance) C4'-P energy: -10.358 bonds (distance) P-C4' energy: -10.454 flat angles C4'-P-C4' energy: -13.809 flat angles P-C4'-P energy: -10.682 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: 6, replica: 1 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -90.778272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.778272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.778272 (E_RNA) where: Base-Base interactions energy: -45.511 where: short stacking energy: -36.049 Base-Backbone interact. energy: -0.337 local terms energy: -44.930241 where: bonds (distance) C4'-P energy: -9.660 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -9.844 flat angles P-C4'-P energy: -8.471 tors. eta vs tors. theta energy: -3.191 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: 10 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -91.534798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.534798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.534798 (E_RNA) where: Base-Base interactions energy: -42.558 where: short stacking energy: -41.852 Base-Backbone interact. energy: -0.149 local terms energy: -48.828710 where: bonds (distance) C4'-P energy: -12.027 bonds (distance) P-C4' energy: -10.460 flat angles C4'-P-C4' energy: -11.426 flat angles P-C4'-P energy: -7.696 tors. eta vs tors. theta energy: -7.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -77.788481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.788481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.788481 (E_RNA) where: Base-Base interactions energy: -36.138 where: short stacking energy: -25.932 Base-Backbone interact. energy: -0.283 local terms energy: -41.367702 where: bonds (distance) C4'-P energy: -10.248 bonds (distance) P-C4' energy: -10.817 flat angles C4'-P-C4' energy: -10.597 flat angles P-C4'-P energy: -6.560 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: 9, replica: 5 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -82.563900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.563900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.563900 (E_RNA) where: Base-Base interactions energy: -38.260 where: short stacking energy: -34.165 Base-Backbone interact. energy: -0.434 local terms energy: -43.869756 where: bonds (distance) C4'-P energy: -10.036 bonds (distance) P-C4' energy: -12.448 flat angles C4'-P-C4' energy: -7.777 flat angles P-C4'-P energy: -9.445 tors. eta vs tors. theta energy: -4.164 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: 7 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -83.489295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.489295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.489295 (E_RNA) where: Base-Base interactions energy: -34.669 where: short stacking energy: -34.514 Base-Backbone interact. energy: -0.105 local terms energy: -48.715716 where: bonds (distance) C4'-P energy: -11.929 bonds (distance) P-C4' energy: -11.209 flat angles C4'-P-C4' energy: -11.887 flat angles P-C4'-P energy: -6.243 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: 1, replica: 3 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -158.524900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.524900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.524900 (E_RNA) where: Base-Base interactions energy: -94.391 where: short stacking energy: -59.422 Base-Backbone interact. energy: -0.430 local terms energy: -63.703335 where: bonds (distance) C4'-P energy: -11.766 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -15.638 flat angles P-C4'-P energy: -5.161 tors. eta vs tors. theta energy: -15.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -157.687509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.687509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.687509 (E_RNA) where: Base-Base interactions energy: -94.394 where: short stacking energy: -60.920 Base-Backbone interact. energy: -0.012 local terms energy: -63.280858 where: bonds (distance) C4'-P energy: -14.140 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -13.082 flat angles P-C4'-P energy: -8.127 tors. eta vs tors. theta energy: -12.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -139.706727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.706727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.706727 (E_RNA) where: Base-Base interactions energy: -81.860 where: short stacking energy: -46.700 Base-Backbone interact. energy: -0.008 local terms energy: -57.839025 where: bonds (distance) C4'-P energy: -13.142 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -11.409 flat angles P-C4'-P energy: -9.237 tors. eta vs tors. theta energy: -11.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -146.495613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.495613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.495613 (E_RNA) where: Base-Base interactions energy: -85.012 where: short stacking energy: -49.190 Base-Backbone interact. energy: -0.093 local terms energy: -61.390956 where: bonds (distance) C4'-P energy: -15.088 bonds (distance) P-C4' energy: -10.340 flat angles C4'-P-C4' energy: -12.694 flat angles P-C4'-P energy: -12.073 tors. eta vs tors. theta energy: -11.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -130.039565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.039565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.039565 (E_RNA) where: Base-Base interactions energy: -79.446 where: short stacking energy: -46.076 Base-Backbone interact. energy: -0.068 local terms energy: -50.525128 where: bonds (distance) C4'-P energy: -11.192 bonds (distance) P-C4' energy: -12.194 flat angles C4'-P-C4' energy: -9.122 flat angles P-C4'-P energy: -7.396 tors. eta vs tors. theta energy: -10.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -99.373102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.373102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.373102 (E_RNA) where: Base-Base interactions energy: -40.112 where: short stacking energy: -39.479 Base-Backbone interact. energy: -0.013 local terms energy: -59.248834 where: bonds (distance) C4'-P energy: -13.606 bonds (distance) P-C4' energy: -14.755 flat angles C4'-P-C4' energy: -13.028 flat angles P-C4'-P energy: -8.646 tors. eta vs tors. theta energy: -9.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -89.838432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.838432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.838432 (E_RNA) where: Base-Base interactions energy: -44.449 where: short stacking energy: -26.510 Base-Backbone interact. energy: -0.734 local terms energy: -44.655424 where: bonds (distance) C4'-P energy: -11.963 bonds (distance) P-C4' energy: -12.309 flat angles C4'-P-C4' energy: -11.777 flat angles P-C4'-P energy: -6.576 tors. eta vs tors. theta energy: -2.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -81.667695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.667695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.667695 (E_RNA) where: Base-Base interactions energy: -39.190 where: short stacking energy: -34.296 Base-Backbone interact. energy: -0.362 local terms energy: -42.115320 where: bonds (distance) C4'-P energy: -13.733 bonds (distance) P-C4' energy: -8.922 flat angles C4'-P-C4' energy: -10.668 flat angles P-C4'-P energy: -5.562 tors. eta vs tors. theta energy: -3.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -68.887193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.887193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.887193 (E_RNA) where: Base-Base interactions energy: -21.922 where: short stacking energy: -21.922 Base-Backbone interact. energy: -0.011 local terms energy: -46.954747 where: bonds (distance) C4'-P energy: -12.521 bonds (distance) P-C4' energy: -10.623 flat angles C4'-P-C4' energy: -10.079 flat angles P-C4'-P energy: -10.120 tors. eta vs tors. theta energy: -3.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -77.337193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.337193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.337193 (E_RNA) where: Base-Base interactions energy: -27.656 where: short stacking energy: -27.656 Base-Backbone interact. energy: -0.003 local terms energy: -49.678541 where: bonds (distance) C4'-P energy: -13.029 bonds (distance) P-C4' energy: -12.977 flat angles C4'-P-C4' energy: -13.051 flat angles P-C4'-P energy: -9.324 tors. eta vs tors. theta energy: -1.298 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: 1, replica: 6 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -154.170731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.170731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.170731 (E_RNA) where: Base-Base interactions energy: -92.125 where: short stacking energy: -55.246 Base-Backbone interact. energy: -0.748 local terms energy: -61.297728 where: bonds (distance) C4'-P energy: -9.890 bonds (distance) P-C4' energy: -12.793 flat angles C4'-P-C4' energy: -13.931 flat angles P-C4'-P energy: -10.281 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: 3 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -151.270262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.270262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.270262 (E_RNA) where: Base-Base interactions energy: -93.946 where: short stacking energy: -53.002 Base-Backbone interact. energy: 2.203 local terms energy: -59.527789 where: bonds (distance) C4'-P energy: -13.323 bonds (distance) P-C4' energy: -12.616 flat angles C4'-P-C4' energy: -13.398 flat angles P-C4'-P energy: -7.866 tors. eta vs tors. theta energy: -12.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -157.428605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.428605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.428605 (E_RNA) where: Base-Base interactions energy: -93.663 where: short stacking energy: -56.411 Base-Backbone interact. energy: -0.144 local terms energy: -63.621556 where: bonds (distance) C4'-P energy: -13.092 bonds (distance) P-C4' energy: -11.853 flat angles C4'-P-C4' energy: -15.534 flat angles P-C4'-P energy: -7.551 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: 4, replica: 9 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -125.785037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.785037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.785037 (E_RNA) where: Base-Base interactions energy: -83.141 where: short stacking energy: -46.345 Base-Backbone interact. energy: -0.461 local terms energy: -42.183899 where: bonds (distance) C4'-P energy: -7.823 bonds (distance) P-C4' energy: -9.282 flat angles C4'-P-C4' energy: -13.130 flat angles P-C4'-P energy: -2.035 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: 5, replica: 4 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -127.710019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.710019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.710019 (E_RNA) where: Base-Base interactions energy: -73.741 where: short stacking energy: -45.987 Base-Backbone interact. energy: -0.063 local terms energy: -53.905599 where: bonds (distance) C4'-P energy: -11.217 bonds (distance) P-C4' energy: -9.552 flat angles C4'-P-C4' energy: -11.404 flat angles P-C4'-P energy: -11.808 tors. eta vs tors. theta energy: -9.925 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: 6, replica: 1 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -84.422722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.422722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.422722 (E_RNA) where: Base-Base interactions energy: -37.010 where: short stacking energy: -36.461 Base-Backbone interact. energy: -0.187 local terms energy: -47.226288 where: bonds (distance) C4'-P energy: -10.650 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -9.522 flat angles P-C4'-P energy: -7.007 tors. eta vs tors. theta energy: -5.412 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: 492 Temperature: 1.200000 Total energy: -88.957992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.957992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.957992 (E_RNA) where: Base-Base interactions energy: -41.289 where: short stacking energy: -41.289 Base-Backbone interact. energy: -0.041 local terms energy: -47.628546 where: bonds (distance) C4'-P energy: -12.690 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -13.335 flat angles P-C4'-P energy: -8.515 tors. eta vs tors. theta energy: -6.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -89.321564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.321564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.321564 (E_RNA) where: Base-Base interactions energy: -45.344 where: short stacking energy: -39.978 Base-Backbone interact. energy: -0.008 local terms energy: -43.969974 where: bonds (distance) C4'-P energy: -9.441 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -9.126 flat angles P-C4'-P energy: -5.214 tors. eta vs tors. theta energy: -6.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -76.753151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.753151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.753151 (E_RNA) where: Base-Base interactions energy: -27.238 where: short stacking energy: -26.368 Base-Backbone interact. energy: -0.041 local terms energy: -49.474475 where: bonds (distance) C4'-P energy: -11.076 bonds (distance) P-C4' energy: -13.203 flat angles C4'-P-C4' energy: -12.384 flat angles P-C4'-P energy: -7.259 tors. eta vs tors. theta energy: -5.553 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: 8 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -70.198713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.198713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.198713 (E_RNA) where: Base-Base interactions energy: -31.125 where: short stacking energy: -29.056 Base-Backbone interact. energy: -0.098 local terms energy: -38.976021 where: bonds (distance) C4'-P energy: -10.189 bonds (distance) P-C4' energy: -11.710 flat angles C4'-P-C4' energy: -10.813 flat angles P-C4'-P energy: -7.473 tors. eta vs tors. theta energy: 1.209 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: 493 Temperature: 0.900000 Total energy: -159.864308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.864308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.864308 (E_RNA) where: Base-Base interactions energy: -95.212 where: short stacking energy: -56.879 Base-Backbone interact. energy: -1.047 local terms energy: -63.605236 where: bonds (distance) C4'-P energy: -12.815 bonds (distance) P-C4' energy: -13.811 flat angles C4'-P-C4' energy: -14.284 flat angles P-C4'-P energy: -9.888 tors. eta vs tors. theta energy: -12.807 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: 2 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -144.368894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.368894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.368894 (E_RNA) where: Base-Base interactions energy: -87.094 where: short stacking energy: -50.909 Base-Backbone interact. energy: -0.044 local terms energy: -57.231388 where: bonds (distance) C4'-P energy: -12.333 bonds (distance) P-C4' energy: -13.780 flat angles C4'-P-C4' energy: -13.301 flat angles P-C4'-P energy: -6.369 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: 3, replica: 3 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -138.721802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.721802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.721802 (E_RNA) where: Base-Base interactions energy: -83.314 where: short stacking energy: -60.691 Base-Backbone interact. energy: 1.524 local terms energy: -56.931576 where: bonds (distance) C4'-P energy: -13.601 bonds (distance) P-C4' energy: -8.506 flat angles C4'-P-C4' energy: -8.839 flat angles P-C4'-P energy: -12.187 tors. eta vs tors. theta energy: -13.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -133.716162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.716162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.716162 (E_RNA) where: Base-Base interactions energy: -80.566 where: short stacking energy: -51.066 Base-Backbone interact. energy: -0.379 local terms energy: -52.770932 where: bonds (distance) C4'-P energy: -12.035 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -9.013 flat angles P-C4'-P energy: -5.193 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: 5, replica: 9 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -125.968988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.968988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.968988 (E_RNA) where: Base-Base interactions energy: -72.321 where: short stacking energy: -43.305 Base-Backbone interact. energy: -1.163 local terms energy: -52.485685 where: bonds (distance) C4'-P energy: -14.194 bonds (distance) P-C4' energy: -14.554 flat angles C4'-P-C4' energy: -12.937 flat angles P-C4'-P energy: -8.857 tors. eta vs tors. theta energy: -1.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -87.039573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.039573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.039573 (E_RNA) where: Base-Base interactions energy: -40.740 where: short stacking energy: -27.230 Base-Backbone interact. energy: -0.363 local terms energy: -45.936747 where: bonds (distance) C4'-P energy: -11.556 bonds (distance) P-C4' energy: -14.403 flat angles C4'-P-C4' energy: -13.164 flat angles P-C4'-P energy: -7.902 tors. eta vs tors. theta energy: 1.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -89.475390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.475390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.475390 (E_RNA) where: Base-Base interactions energy: -37.368 where: short stacking energy: -36.140 Base-Backbone interact. energy: -0.179 local terms energy: -51.928758 where: bonds (distance) C4'-P energy: -10.993 bonds (distance) P-C4' energy: -11.969 flat angles C4'-P-C4' energy: -15.246 flat angles P-C4'-P energy: -6.620 tors. eta vs tors. theta energy: -7.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -90.914110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.914110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.914110 (E_RNA) where: Base-Base interactions energy: -42.874 where: short stacking energy: -37.970 Base-Backbone interact. energy: -0.052 local terms energy: -47.988014 where: bonds (distance) C4'-P energy: -10.484 bonds (distance) P-C4' energy: -9.964 flat angles C4'-P-C4' energy: -11.444 flat angles P-C4'-P energy: -5.517 tors. eta vs tors. theta energy: -10.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -88.601075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.601075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.601075 (E_RNA) where: Base-Base interactions energy: -36.056 where: short stacking energy: -35.265 Base-Backbone interact. energy: -0.048 local terms energy: -52.497043 where: bonds (distance) C4'-P energy: -8.510 bonds (distance) P-C4' energy: -12.674 flat angles C4'-P-C4' energy: -13.340 flat angles P-C4'-P energy: -8.023 tors. eta vs tors. theta energy: -9.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -70.569056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.569056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.569056 (E_RNA) where: Base-Base interactions energy: -35.295 where: short stacking energy: -33.106 Base-Backbone interact. energy: -0.020 local terms energy: -35.254078 where: bonds (distance) C4'-P energy: -10.007 bonds (distance) P-C4' energy: -10.905 flat angles C4'-P-C4' energy: -3.120 flat angles P-C4'-P energy: -7.920 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: 1, replica: 6 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -154.569070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.569070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.569070 (E_RNA) where: Base-Base interactions energy: -90.041 where: short stacking energy: -55.503 Base-Backbone interact. energy: -0.054 local terms energy: -64.473639 where: bonds (distance) C4'-P energy: -14.743 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -14.263 flat angles P-C4'-P energy: -7.415 tors. eta vs tors. theta energy: -15.224 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: 494 Temperature: 0.950000 Total energy: -156.414826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.414826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.414826 (E_RNA) where: Base-Base interactions energy: -94.539 where: short stacking energy: -58.446 Base-Backbone interact. energy: -0.003 local terms energy: -61.873154 where: bonds (distance) C4'-P energy: -12.409 bonds (distance) P-C4' energy: -15.794 flat angles C4'-P-C4' energy: -9.549 flat angles P-C4'-P energy: -8.199 tors. eta vs tors. theta energy: -15.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -143.259409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.259409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.259409 (E_RNA) where: Base-Base interactions energy: -82.867 where: short stacking energy: -43.458 Base-Backbone interact. energy: -0.280 local terms energy: -60.112251 where: bonds (distance) C4'-P energy: -11.920 bonds (distance) P-C4' energy: -15.480 flat angles C4'-P-C4' energy: -15.169 flat angles P-C4'-P energy: -11.259 tors. eta vs tors. theta energy: -6.284 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: 3 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -123.853500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.853500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.853500 (E_RNA) where: Base-Base interactions energy: -75.297 where: short stacking energy: -37.850 Base-Backbone interact. energy: 0.433 local terms energy: -48.990063 where: bonds (distance) C4'-P energy: -12.045 bonds (distance) P-C4' energy: -12.499 flat angles C4'-P-C4' energy: -11.175 flat angles P-C4'-P energy: -8.348 tors. eta vs tors. theta energy: -4.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -139.101433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.101433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.101433 (E_RNA) where: Base-Base interactions energy: -83.123 where: short stacking energy: -49.438 Base-Backbone interact. energy: -0.002 local terms energy: -55.975954 where: bonds (distance) C4'-P energy: -13.196 bonds (distance) P-C4' energy: -10.589 flat angles C4'-P-C4' energy: -10.471 flat angles P-C4'-P energy: -7.548 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: 6, replica: 5 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -86.984778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.984778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.984778 (E_RNA) where: Base-Base interactions energy: -36.898 where: short stacking energy: -33.280 Base-Backbone interact. energy: -0.208 local terms energy: -49.879307 where: bonds (distance) C4'-P energy: -11.325 bonds (distance) P-C4' energy: -13.690 flat angles C4'-P-C4' energy: -10.384 flat angles P-C4'-P energy: -11.587 tors. eta vs tors. theta energy: -2.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -93.722390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.722390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.722390 (E_RNA) where: Base-Base interactions energy: -41.866 where: short stacking energy: -41.866 Base-Backbone interact. energy: -0.437 local terms energy: -51.419749 where: bonds (distance) C4'-P energy: -13.200 bonds (distance) P-C4' energy: -13.212 flat angles C4'-P-C4' energy: -10.936 flat angles P-C4'-P energy: -9.588 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: 8, replica: 1 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -83.554165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.554165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.554165 (E_RNA) where: Base-Base interactions energy: -37.490 where: short stacking energy: -26.648 Base-Backbone interact. energy: -0.025 local terms energy: -46.039647 where: bonds (distance) C4'-P energy: -10.591 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -10.084 tors. eta vs tors. theta energy: -3.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -89.938039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.938039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.938039 (E_RNA) where: Base-Base interactions energy: -46.089 where: short stacking energy: -33.651 Base-Backbone interact. energy: -0.097 local terms energy: -43.752299 where: bonds (distance) C4'-P energy: -14.897 bonds (distance) P-C4' energy: -4.583 flat angles C4'-P-C4' energy: -11.734 flat angles P-C4'-P energy: -5.320 tors. eta vs tors. theta energy: -7.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -65.938642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.938642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.938642 (E_RNA) where: Base-Base interactions energy: -27.459 where: short stacking energy: -27.459 Base-Backbone interact. energy: -0.447 local terms energy: -38.031942 where: bonds (distance) C4'-P energy: -9.858 bonds (distance) P-C4' energy: -11.629 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -8.822 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: 1, replica: 6 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -160.139640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.139640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.139640 (E_RNA) where: Base-Base interactions energy: -100.028 where: short stacking energy: -61.384 Base-Backbone interact. energy: -0.008 local terms energy: -60.103208 where: bonds (distance) C4'-P energy: -12.299 bonds (distance) P-C4' energy: -13.921 flat angles C4'-P-C4' energy: -14.813 flat angles P-C4'-P energy: -7.066 tors. eta vs tors. theta energy: -12.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -155.287422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.287422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.287422 (E_RNA) where: Base-Base interactions energy: -98.173 where: short stacking energy: -52.493 Base-Backbone interact. energy: -0.125 local terms energy: -56.989603 where: bonds (distance) C4'-P energy: -12.195 bonds (distance) P-C4' energy: -10.277 flat angles C4'-P-C4' energy: -13.698 flat angles P-C4'-P energy: -11.505 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: 3, replica: 2 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -161.318223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.318223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.318223 (E_RNA) where: Base-Base interactions energy: -99.146 where: short stacking energy: -60.936 Base-Backbone interact. energy: -0.004 local terms energy: -62.168137 where: bonds (distance) C4'-P energy: -13.348 bonds (distance) P-C4' energy: -12.679 flat angles C4'-P-C4' energy: -11.281 flat angles P-C4'-P energy: -8.365 tors. eta vs tors. theta energy: -16.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -131.197184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.197184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.197184 (E_RNA) where: Base-Base interactions energy: -79.703 where: short stacking energy: -49.023 Base-Backbone interact. energy: 0.959 local terms energy: -52.453015 where: bonds (distance) C4'-P energy: -6.647 bonds (distance) P-C4' energy: -12.995 flat angles C4'-P-C4' energy: -13.850 flat angles P-C4'-P energy: -9.424 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: 5, replica: 3 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -117.498752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.498752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.498752 (E_RNA) where: Base-Base interactions energy: -62.327 where: short stacking energy: -42.764 Base-Backbone interact. energy: -0.098 local terms energy: -55.073504 where: bonds (distance) C4'-P energy: -13.539 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -11.385 flat angles P-C4'-P energy: -9.395 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: 6, replica: 5 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -105.448534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.448534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.448534 (E_RNA) where: Base-Base interactions energy: -54.717 where: short stacking energy: -34.832 Base-Backbone interact. energy: -0.203 local terms energy: -50.528125 where: bonds (distance) C4'-P energy: -12.803 bonds (distance) P-C4' energy: -11.933 flat angles C4'-P-C4' energy: -10.223 flat angles P-C4'-P energy: -8.854 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: 7, replica: 7 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -83.449223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.449223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.449223 (E_RNA) where: Base-Base interactions energy: -38.766 where: short stacking energy: -38.766 Base-Backbone interact. energy: 0.613 local terms energy: -45.296399 where: bonds (distance) C4'-P energy: -12.550 bonds (distance) P-C4' energy: -8.066 flat angles C4'-P-C4' energy: -8.640 flat angles P-C4'-P energy: -11.052 tors. eta vs tors. theta energy: -4.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -91.957599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.957599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.957599 (E_RNA) where: Base-Base interactions energy: -39.573 where: short stacking energy: -37.970 Base-Backbone interact. energy: -0.031 local terms energy: -52.354138 where: bonds (distance) C4'-P energy: -13.717 bonds (distance) P-C4' energy: -12.461 flat angles C4'-P-C4' energy: -7.895 flat angles P-C4'-P energy: -8.228 tors. eta vs tors. theta energy: -10.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -89.951130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.951130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.951130 (E_RNA) where: Base-Base interactions energy: -41.719 where: short stacking energy: -37.944 Base-Backbone interact. energy: -0.110 local terms energy: -48.122938 where: bonds (distance) C4'-P energy: -12.442 bonds (distance) P-C4' energy: -10.165 flat angles C4'-P-C4' energy: -11.469 flat angles P-C4'-P energy: -6.845 tors. eta vs tors. theta energy: -7.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -88.835144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.835144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.835144 (E_RNA) where: Base-Base interactions energy: -31.184 where: short stacking energy: -31.184 Base-Backbone interact. energy: -0.834 local terms energy: -56.817540 where: bonds (distance) C4'-P energy: -10.973 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -13.994 flat angles P-C4'-P energy: -8.850 tors. eta vs tors. theta energy: -7.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -155.925196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.925196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.925196 (E_RNA) where: Base-Base interactions energy: -96.417 where: short stacking energy: -54.313 Base-Backbone interact. energy: 0.094 local terms energy: -59.602479 where: bonds (distance) C4'-P energy: -12.568 bonds (distance) P-C4' energy: -13.517 flat angles C4'-P-C4' energy: -14.307 flat angles P-C4'-P energy: -9.559 tors. eta vs tors. theta energy: -9.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -148.044527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.044527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.044527 (E_RNA) where: Base-Base interactions energy: -90.313 where: short stacking energy: -51.835 Base-Backbone interact. energy: -0.107 local terms energy: -57.624427 where: bonds (distance) C4'-P energy: -11.130 bonds (distance) P-C4' energy: -13.707 flat angles C4'-P-C4' energy: -14.065 flat angles P-C4'-P energy: -7.991 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: 3, replica: 9 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -147.709023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.709023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.709023 (E_RNA) where: Base-Base interactions energy: -85.347 where: short stacking energy: -55.754 Base-Backbone interact. energy: -0.146 local terms energy: -62.216179 where: bonds (distance) C4'-P energy: -13.746 bonds (distance) P-C4' energy: -15.438 flat angles C4'-P-C4' energy: -14.147 flat angles P-C4'-P energy: -8.942 tors. eta vs tors. theta energy: -9.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -130.732667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.732667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.732667 (E_RNA) where: Base-Base interactions energy: -77.604 where: short stacking energy: -50.895 Base-Backbone interact. energy: -0.028 local terms energy: -53.101137 where: bonds (distance) C4'-P energy: -8.601 bonds (distance) P-C4' energy: -14.405 flat angles C4'-P-C4' energy: -11.569 flat angles P-C4'-P energy: -10.068 tors. eta vs tors. theta energy: -8.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -102.472011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.472011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.472011 (E_RNA) where: Base-Base interactions energy: -50.827 where: short stacking energy: -50.827 Base-Backbone interact. energy: -0.011 local terms energy: -51.634067 where: bonds (distance) C4'-P energy: -7.553 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -10.587 flat angles P-C4'-P energy: -7.204 tors. eta vs tors. theta energy: -12.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -96.212920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.212920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.212920 (E_RNA) where: Base-Base interactions energy: -44.452 where: short stacking energy: -44.452 Base-Backbone interact. energy: -0.099 local terms energy: -51.661940 where: bonds (distance) C4'-P energy: -9.038 bonds (distance) P-C4' energy: -14.467 flat angles C4'-P-C4' energy: -13.775 flat angles P-C4'-P energy: -5.505 tors. eta vs tors. theta energy: -8.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -129.471142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.471142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.471142 (E_RNA) where: Base-Base interactions energy: -73.090 where: short stacking energy: -45.855 Base-Backbone interact. energy: 1.786 local terms energy: -58.167255 where: bonds (distance) C4'-P energy: -13.531 bonds (distance) P-C4' energy: -12.380 flat angles C4'-P-C4' energy: -13.795 flat angles P-C4'-P energy: -7.047 tors. eta vs tors. theta energy: -11.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -82.664599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.664599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.664599 (E_RNA) where: Base-Base interactions energy: -43.754 where: short stacking energy: -40.170 Base-Backbone interact. energy: -0.078 local terms energy: -38.833127 where: bonds (distance) C4'-P energy: -1.736 bonds (distance) P-C4' energy: -11.622 flat angles C4'-P-C4' energy: -11.402 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -9.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -87.375133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.375133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.375133 (E_RNA) where: Base-Base interactions energy: -35.586 where: short stacking energy: -35.387 Base-Backbone interact. energy: -0.281 local terms energy: -51.508051 where: bonds (distance) C4'-P energy: -14.422 bonds (distance) P-C4' energy: -12.771 flat angles C4'-P-C4' energy: -10.303 flat angles P-C4'-P energy: -11.599 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: 1 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -80.382095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.382095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.382095 (E_RNA) where: Base-Base interactions energy: -35.421 where: short stacking energy: -35.421 Base-Backbone interact. energy: -0.004 local terms energy: -44.956940 where: bonds (distance) C4'-P energy: -8.290 bonds (distance) P-C4' energy: -13.613 flat angles C4'-P-C4' energy: -10.474 flat angles P-C4'-P energy: -3.430 tors. eta vs tors. theta energy: -9.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -168.038386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.038386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.038386 (E_RNA) where: Base-Base interactions energy: -106.591 where: short stacking energy: -63.422 Base-Backbone interact. energy: -0.086 local terms energy: -61.361036 where: bonds (distance) C4'-P energy: -15.187 bonds (distance) P-C4' energy: -14.842 flat angles C4'-P-C4' energy: -9.793 flat angles P-C4'-P energy: -5.921 tors. eta vs tors. theta energy: -15.618 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: 9 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -162.122071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.122071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.122071 (E_RNA) where: Base-Base interactions energy: -94.429 where: short stacking energy: -61.950 Base-Backbone interact. energy: -1.116 local terms energy: -66.577613 where: bonds (distance) C4'-P energy: -13.313 bonds (distance) P-C4' energy: -14.907 flat angles C4'-P-C4' energy: -12.549 flat angles P-C4'-P energy: -7.733 tors. eta vs tors. theta energy: -18.076 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: 6 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -139.210152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.210152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.210152 (E_RNA) where: Base-Base interactions energy: -80.306 where: short stacking energy: -42.622 Base-Backbone interact. energy: -0.327 local terms energy: -58.577380 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -13.484 flat angles C4'-P-C4' energy: -14.089 flat angles P-C4'-P energy: -6.784 tors. eta vs tors. theta energy: -9.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -101.813578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.813578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.813578 (E_RNA) where: Base-Base interactions energy: -43.422 where: short stacking energy: -43.422 Base-Backbone interact. energy: -0.226 local terms energy: -58.165645 where: bonds (distance) C4'-P energy: -12.363 bonds (distance) P-C4' energy: -14.793 flat angles C4'-P-C4' energy: -11.238 flat angles P-C4'-P energy: -7.352 tors. eta vs tors. theta energy: -12.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -133.520476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.520476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.520476 (E_RNA) where: Base-Base interactions energy: -82.866 where: short stacking energy: -51.626 Base-Backbone interact. energy: -0.169 local terms energy: -50.485550 where: bonds (distance) C4'-P energy: -10.074 bonds (distance) P-C4' energy: -11.894 flat angles C4'-P-C4' energy: -11.296 flat angles P-C4'-P energy: -6.029 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: 7 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -139.056997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.056997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.056997 (E_RNA) where: Base-Base interactions energy: -80.982 where: short stacking energy: -49.868 Base-Backbone interact. energy: -0.217 local terms energy: -57.858531 where: bonds (distance) C4'-P energy: -13.311 bonds (distance) P-C4' energy: -10.878 flat angles C4'-P-C4' energy: -12.167 flat angles P-C4'-P energy: -8.838 tors. eta vs tors. theta energy: -12.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -98.964692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.964692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.964692 (E_RNA) where: Base-Base interactions energy: -52.186 where: short stacking energy: -49.249 Base-Backbone interact. energy: -0.031 local terms energy: -46.747722 where: bonds (distance) C4'-P energy: -10.898 bonds (distance) P-C4' energy: -9.037 flat angles C4'-P-C4' energy: -12.256 flat angles P-C4'-P energy: -7.856 tors. eta vs tors. theta energy: -6.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -73.072388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.072388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.072388 (E_RNA) where: Base-Base interactions energy: -34.619 where: short stacking energy: -23.495 Base-Backbone interact. energy: -0.160 local terms energy: -38.293618 where: bonds (distance) C4'-P energy: -10.803 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -7.462 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: -1.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -78.520404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.520404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.520404 (E_RNA) where: Base-Base interactions energy: -27.184 where: short stacking energy: -26.068 Base-Backbone interact. energy: -0.119 local terms energy: -51.217742 where: bonds (distance) C4'-P energy: -13.456 bonds (distance) P-C4' energy: -14.022 flat angles C4'-P-C4' energy: -11.279 flat angles P-C4'-P energy: -8.365 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: 1 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -88.615118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.615118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.615118 (E_RNA) where: Base-Base interactions energy: -37.307 where: short stacking energy: -29.923 Base-Backbone interact. energy: -0.011 local terms energy: -51.297560 where: bonds (distance) C4'-P energy: -11.562 bonds (distance) P-C4' energy: -15.237 flat angles C4'-P-C4' energy: -10.467 flat angles P-C4'-P energy: -9.144 tors. eta vs tors. theta energy: -4.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -167.549872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.549872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.549872 (E_RNA) where: Base-Base interactions energy: -107.111 where: short stacking energy: -61.228 Base-Backbone interact. energy: -0.003 local terms energy: -60.435874 where: bonds (distance) C4'-P energy: -11.019 bonds (distance) P-C4' energy: -15.767 flat angles C4'-P-C4' energy: -11.701 flat angles P-C4'-P energy: -7.355 tors. eta vs tors. theta energy: -14.594 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: 2, replica: 9 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -144.263002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.263002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.263002 (E_RNA) where: Base-Base interactions energy: -83.010 where: short stacking energy: -52.511 Base-Backbone interact. energy: -0.005 local terms energy: -61.247929 where: bonds (distance) C4'-P energy: -15.729 bonds (distance) P-C4' energy: -13.484 flat angles C4'-P-C4' energy: -13.492 flat angles P-C4'-P energy: -8.436 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: 3, replica: 6 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -150.290307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.290307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.290307 (E_RNA) where: Base-Base interactions energy: -91.459 where: short stacking energy: -60.572 Base-Backbone interact. energy: -0.015 local terms energy: -58.816505 where: bonds (distance) C4'-P energy: -12.052 bonds (distance) P-C4' energy: -13.526 flat angles C4'-P-C4' energy: -12.395 flat angles P-C4'-P energy: -8.202 tors. eta vs tors. theta energy: -12.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -106.054998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.054998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.054998 (E_RNA) where: Base-Base interactions energy: -52.851 where: short stacking energy: -51.363 Base-Backbone interact. energy: -0.006 local terms energy: -53.198639 where: bonds (distance) C4'-P energy: -10.377 bonds (distance) P-C4' energy: -12.249 flat angles C4'-P-C4' energy: -9.185 flat angles P-C4'-P energy: -10.149 tors. eta vs tors. theta energy: -11.239 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: 2 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -132.898253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.898253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.898253 (E_RNA) where: Base-Base interactions energy: -78.892 where: short stacking energy: -52.066 Base-Backbone interact. energy: 2.466 local terms energy: -56.472670 where: bonds (distance) C4'-P energy: -12.234 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -9.727 flat angles P-C4'-P energy: -10.229 tors. eta vs tors. theta energy: -8.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -118.989558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.989558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.989558 (E_RNA) where: Base-Base interactions energy: -67.386 where: short stacking energy: -46.578 Base-Backbone interact. energy: -0.082 local terms energy: -51.521234 where: bonds (distance) C4'-P energy: -12.654 bonds (distance) P-C4' energy: -11.836 flat angles C4'-P-C4' energy: -13.584 flat angles P-C4'-P energy: -6.412 tors. eta vs tors. theta energy: -7.035 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: 10 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -95.268209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.268209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.268209 (E_RNA) where: Base-Base interactions energy: -48.809 where: short stacking energy: -33.904 Base-Backbone interact. energy: 2.474 local terms energy: -48.933634 where: bonds (distance) C4'-P energy: -13.580 bonds (distance) P-C4' energy: -10.937 flat angles C4'-P-C4' energy: -11.734 flat angles P-C4'-P energy: -8.026 tors. eta vs tors. theta energy: -4.657 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: 5 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -87.331235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.331235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.331235 (E_RNA) where: Base-Base interactions energy: -37.414 where: short stacking energy: -37.414 Base-Backbone interact. energy: -0.065 local terms energy: -49.852146 where: bonds (distance) C4'-P energy: -11.994 bonds (distance) P-C4' energy: -11.569 flat angles C4'-P-C4' energy: -13.315 flat angles P-C4'-P energy: -4.711 tors. eta vs tors. theta energy: -8.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -74.780867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.780867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.780867 (E_RNA) where: Base-Base interactions energy: -31.999 where: short stacking energy: -30.169 Base-Backbone interact. energy: -0.036 local terms energy: -42.746206 where: bonds (distance) C4'-P energy: -9.131 bonds (distance) P-C4' energy: -11.713 flat angles C4'-P-C4' energy: -10.553 flat angles P-C4'-P energy: -9.483 tors. eta vs tors. theta energy: -1.866 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: 8 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -75.025200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.025200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.025200 (E_RNA) where: Base-Base interactions energy: -31.406 where: short stacking energy: -30.239 Base-Backbone interact. energy: -0.397 local terms energy: -43.221576 where: bonds (distance) C4'-P energy: -10.629 bonds (distance) P-C4' energy: -13.258 flat angles C4'-P-C4' energy: -10.866 flat angles P-C4'-P energy: -9.273 tors. eta vs tors. theta energy: 0.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -168.669389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.669389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.669389 (E_RNA) where: Base-Base interactions energy: -104.882 where: short stacking energy: -62.108 Base-Backbone interact. energy: -0.003 local terms energy: -63.785117 where: bonds (distance) C4'-P energy: -12.002 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -13.527 flat angles P-C4'-P energy: -9.190 tors. eta vs tors. theta energy: -15.323 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: 6 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -156.016310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.016310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.016310 (E_RNA) where: Base-Base interactions energy: -94.546 where: short stacking energy: -59.700 Base-Backbone interact. energy: -0.028 local terms energy: -61.441476 where: bonds (distance) C4'-P energy: -9.696 bonds (distance) P-C4' energy: -14.292 flat angles C4'-P-C4' energy: -14.004 flat angles P-C4'-P energy: -9.003 tors. eta vs tors. theta energy: -14.445 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: 3, replica: 9 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -144.735697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.735697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.735697 (E_RNA) where: Base-Base interactions energy: -93.248 where: short stacking energy: -53.282 Base-Backbone interact. energy: -0.101 local terms energy: -51.386331 where: bonds (distance) C4'-P energy: -9.280 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -10.406 flat angles P-C4'-P energy: -6.712 tors. eta vs tors. theta energy: -11.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -143.262729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.262729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.262729 (E_RNA) where: Base-Base interactions energy: -81.225 where: short stacking energy: -51.596 Base-Backbone interact. energy: -0.282 local terms energy: -61.756125 where: bonds (distance) C4'-P energy: -12.240 bonds (distance) P-C4' energy: -15.153 flat angles C4'-P-C4' energy: -13.484 flat angles P-C4'-P energy: -9.024 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: 3 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -90.757534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.757534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.757534 (E_RNA) where: Base-Base interactions energy: -42.338 where: short stacking energy: -42.338 Base-Backbone interact. energy: -0.114 local terms energy: -48.306006 where: bonds (distance) C4'-P energy: -13.146 bonds (distance) P-C4' energy: -15.011 flat angles C4'-P-C4' energy: -7.989 flat angles P-C4'-P energy: -9.307 tors. eta vs tors. theta energy: -2.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -88.257489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.257489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.257489 (E_RNA) where: Base-Base interactions energy: -37.341 where: short stacking energy: -33.883 Base-Backbone interact. energy: -0.094 local terms energy: -50.822466 where: bonds (distance) C4'-P energy: -14.984 bonds (distance) P-C4' energy: -10.042 flat angles C4'-P-C4' energy: -8.978 flat angles P-C4'-P energy: -5.923 tors. eta vs tors. theta energy: -10.896 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: 10 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -112.685281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.685281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.685281 (E_RNA) where: Base-Base interactions energy: -57.251 where: short stacking energy: -48.312 Base-Backbone interact. energy: -0.878 local terms energy: -54.555995 where: bonds (distance) C4'-P energy: -11.883 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -13.193 flat angles P-C4'-P energy: -6.080 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: 8, replica: 1 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -81.120200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.120200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.120200 (E_RNA) where: Base-Base interactions energy: -33.842 where: short stacking energy: -33.842 Base-Backbone interact. energy: -0.106 local terms energy: -47.172381 where: bonds (distance) C4'-P energy: -11.551 bonds (distance) P-C4' energy: -13.442 flat angles C4'-P-C4' energy: -10.686 flat angles P-C4'-P energy: -10.301 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: 5 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -75.491255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.491255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.491255 (E_RNA) where: Base-Base interactions energy: -28.700 where: short stacking energy: -28.700 Base-Backbone interact. energy: -0.123 local terms energy: -46.668942 where: bonds (distance) C4'-P energy: -11.200 bonds (distance) P-C4' energy: -13.694 flat angles C4'-P-C4' energy: -11.598 flat angles P-C4'-P energy: -9.659 tors. eta vs tors. theta energy: -0.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -73.543830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.543830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.543830 (E_RNA) where: Base-Base interactions energy: -28.029 where: short stacking energy: -28.029 Base-Backbone interact. energy: -0.099 local terms energy: -45.416230 where: bonds (distance) C4'-P energy: -12.052 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -11.883 flat angles P-C4'-P energy: -4.164 tors. eta vs tors. theta energy: -2.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -166.295901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.295901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.295901 (E_RNA) where: Base-Base interactions energy: -95.756 where: short stacking energy: -59.509 Base-Backbone interact. energy: -0.000 local terms energy: -70.540188 where: bonds (distance) C4'-P energy: -14.538 bonds (distance) P-C4' energy: -15.212 flat angles C4'-P-C4' energy: -15.792 flat angles P-C4'-P energy: -11.170 tors. eta vs tors. theta energy: -13.828 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: 4 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -158.910630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.910630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.910630 (E_RNA) where: Base-Base interactions energy: -96.388 where: short stacking energy: -60.051 Base-Backbone interact. energy: 0.273 local terms energy: -62.794892 where: bonds (distance) C4'-P energy: -11.937 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -10.137 flat angles P-C4'-P energy: -10.660 tors. eta vs tors. theta energy: -16.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -151.272186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.272186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.272186 (E_RNA) where: Base-Base interactions energy: -92.128 where: short stacking energy: -56.179 Base-Backbone interact. energy: -0.353 local terms energy: -58.791555 where: bonds (distance) C4'-P energy: -15.341 bonds (distance) P-C4' energy: -10.875 flat angles C4'-P-C4' energy: -13.821 flat angles P-C4'-P energy: -7.323 tors. eta vs tors. theta energy: -11.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -140.852680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.852680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.852680 (E_RNA) where: Base-Base interactions energy: -81.538 where: short stacking energy: -48.376 Base-Backbone interact. energy: -0.026 local terms energy: -59.288774 where: bonds (distance) C4'-P energy: -11.991 bonds (distance) P-C4' energy: -14.987 flat angles C4'-P-C4' energy: -12.905 flat angles P-C4'-P energy: -6.920 tors. eta vs tors. theta energy: -12.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -85.852892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.852892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.852892 (E_RNA) where: Base-Base interactions energy: -39.262 where: short stacking energy: -33.471 Base-Backbone interact. energy: -0.049 local terms energy: -46.541956 where: bonds (distance) C4'-P energy: -11.888 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -12.139 flat angles P-C4'-P energy: -7.009 tors. eta vs tors. theta energy: -1.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -98.590290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.590290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.590290 (E_RNA) where: Base-Base interactions energy: -36.095 where: short stacking energy: -32.547 Base-Backbone interact. energy: -0.531 local terms energy: -61.964053 where: bonds (distance) C4'-P energy: -13.117 bonds (distance) P-C4' energy: -16.030 flat angles C4'-P-C4' energy: -10.735 flat angles P-C4'-P energy: -12.154 tors. eta vs tors. theta energy: -9.929 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: 1 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -99.715760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.715760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.715760 (E_RNA) where: Base-Base interactions energy: -46.781 where: short stacking energy: -42.305 Base-Backbone interact. energy: -0.010 local terms energy: -52.925435 where: bonds (distance) C4'-P energy: -8.582 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -12.699 flat angles P-C4'-P energy: -7.794 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: 8, replica: 10 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -92.430219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.430219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.430219 (E_RNA) where: Base-Base interactions energy: -36.584 where: short stacking energy: -35.279 Base-Backbone interact. energy: -0.051 local terms energy: -55.795981 where: bonds (distance) C4'-P energy: -14.202 bonds (distance) P-C4' energy: -13.725 flat angles C4'-P-C4' energy: -10.217 flat angles P-C4'-P energy: -10.322 tors. eta vs tors. theta energy: -7.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -93.027688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.027688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.027688 (E_RNA) where: Base-Base interactions energy: -45.464 where: short stacking energy: -45.464 Base-Backbone interact. energy: -0.003 local terms energy: -47.560824 where: bonds (distance) C4'-P energy: -8.488 bonds (distance) P-C4' energy: -13.421 flat angles C4'-P-C4' energy: -8.212 flat angles P-C4'-P energy: -9.890 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: 10, replica: 8 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -77.476884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.476884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.476884 (E_RNA) where: Base-Base interactions energy: -30.684 where: short stacking energy: -27.316 Base-Backbone interact. energy: -0.438 local terms energy: -46.354565 where: bonds (distance) C4'-P energy: -12.003 bonds (distance) P-C4' energy: -10.552 flat angles C4'-P-C4' energy: -11.316 flat angles P-C4'-P energy: -7.139 tors. eta vs tors. theta energy: -5.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -162.814820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.814820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.814820 (E_RNA) where: Base-Base interactions energy: -105.444 where: short stacking energy: -53.440 Base-Backbone interact. energy: -0.097 local terms energy: -57.274142 where: bonds (distance) C4'-P energy: -9.824 bonds (distance) P-C4' energy: -14.599 flat angles C4'-P-C4' energy: -8.779 flat angles P-C4'-P energy: -10.216 tors. eta vs tors. theta energy: -13.856 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: 4 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -156.208731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.208731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.208731 (E_RNA) where: Base-Base interactions energy: -91.053 where: short stacking energy: -52.511 Base-Backbone interact. energy: -0.002 local terms energy: -65.153640 where: bonds (distance) C4'-P energy: -12.716 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -13.775 flat angles P-C4'-P energy: -10.082 tors. eta vs tors. theta energy: -13.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -143.480568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.480568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.480568 (E_RNA) where: Base-Base interactions energy: -86.874 where: short stacking energy: -58.935 Base-Backbone interact. energy: -0.070 local terms energy: -56.535702 where: bonds (distance) C4'-P energy: -10.427 bonds (distance) P-C4' energy: -13.757 flat angles C4'-P-C4' energy: -12.727 flat angles P-C4'-P energy: -8.633 tors. eta vs tors. theta energy: -10.992 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: 7 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -100.384783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.384783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.384783 (E_RNA) where: Base-Base interactions energy: -45.236 where: short stacking energy: -39.905 Base-Backbone interact. energy: 0.025 local terms energy: -55.173484 where: bonds (distance) C4'-P energy: -8.584 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -13.899 flat angles P-C4'-P energy: -10.158 tors. eta vs tors. theta energy: -8.983 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: 9 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -114.871991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.871991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.871991 (E_RNA) where: Base-Base interactions energy: -67.973 where: short stacking energy: -37.687 Base-Backbone interact. energy: 1.058 local terms energy: -47.956925 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -11.457 flat angles C4'-P-C4' energy: -12.949 flat angles P-C4'-P energy: -5.864 tors. eta vs tors. theta energy: -4.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -99.915955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.915955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.915955 (E_RNA) where: Base-Base interactions energy: -50.694 where: short stacking energy: -50.694 Base-Backbone interact. energy: -0.000 local terms energy: -49.221688 where: bonds (distance) C4'-P energy: -9.237 bonds (distance) P-C4' energy: -10.216 flat angles C4'-P-C4' energy: -13.744 flat angles P-C4'-P energy: -3.285 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: 7, replica: 3 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -83.063288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.063288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.063288 (E_RNA) where: Base-Base interactions energy: -30.372 where: short stacking energy: -30.372 Base-Backbone interact. energy: -0.111 local terms energy: -52.580645 where: bonds (distance) C4'-P energy: -10.907 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -16.296 flat angles P-C4'-P energy: -7.834 tors. eta vs tors. theta energy: -3.120 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: 5 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -83.362296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.362296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.362296 (E_RNA) where: Base-Base interactions energy: -33.441 where: short stacking energy: -33.441 Base-Backbone interact. energy: -0.108 local terms energy: -49.812421 where: bonds (distance) C4'-P energy: -12.855 bonds (distance) P-C4' energy: -12.257 flat angles C4'-P-C4' energy: -11.101 flat angles P-C4'-P energy: -6.992 tors. eta vs tors. theta energy: -6.607 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: 10 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -92.743874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.743874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.743874 (E_RNA) where: Base-Base interactions energy: -44.812 where: short stacking energy: -42.938 Base-Backbone interact. energy: -0.061 local terms energy: -47.870785 where: bonds (distance) C4'-P energy: -9.540 bonds (distance) P-C4' energy: -8.174 flat angles C4'-P-C4' energy: -10.806 flat angles P-C4'-P energy: -11.371 tors. eta vs tors. theta energy: -7.980 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: 8 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -74.932288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.932288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.932288 (E_RNA) where: Base-Base interactions energy: -26.188 where: short stacking energy: -21.768 Base-Backbone interact. energy: 0.047 local terms energy: -48.791299 where: bonds (distance) C4'-P energy: -12.269 bonds (distance) P-C4' energy: -11.116 flat angles C4'-P-C4' energy: -13.018 flat angles P-C4'-P energy: -7.904 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) replica 4 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 15807092 moves confirmed later: 18529142 all moves confirmed: 34336234 percent of confirmed moves: 4.292029 current total energy: -107.205384 recalc. total energy: -107.205384 replica 6 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 15384086 moves confirmed later: 17898677 all moves confirmed: 33282763 percent of confirmed moves: 4.160345 current total energy: -113.336830 recalc. total energy: -113.336830 replica 2 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 17402461 moves confirmed later: 20670529 all moves confirmed: 38072990 percent of confirmed moves: 4.759124 current total energy: -108.121087 recalc. total energy: -108.121087 replica 7 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 15759433 moves confirmed later: 18416944 all moves confirmed: 34176377 percent of confirmed moves: 4.272047 current total energy: -50.295846 recalc. total energy: -50.295846 replica 1 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 18138621 moves confirmed later: 21660335 all moves confirmed: 39798956 percent of confirmed moves: 4.974869 current total energy: -58.485146 recalc. total energy: -58.485146 replica 9 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 19676040 moves confirmed later: 23732326 all moves confirmed: 43408366 percent of confirmed moves: 5.426046 current total energy: -51.901095 recalc. total energy: -51.901095 replica 5 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 18127581 moves confirmed later: 21625005 all moves confirmed: 39752586 percent of confirmed moves: 4.969073 current total energy: -48.859377 recalc. total energy: -48.859377 replica 3 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 16516099 moves confirmed later: 19477461 all moves confirmed: 35993560 percent of confirmed moves: 4.499195 current total energy: -58.648691 recalc. total energy: -58.648691 replica 8 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 16370518 moves confirmed later: 19224936 all moves confirmed: 35595454 percent of confirmed moves: 4.449432 current total energy: -26.062917 recalc. total energy: -26.062917 replica 10 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 19498450 moves confirmed later: 23474830 all moves confirmed: 42973280 percent of confirmed moves: 5.371660 current total energy: -48.411121 recalc. total energy: -48.411121 out arg RESULTS//1/g-quadruplex-fa31d31d_01 Time of doing 8000000 iterations: 1463.938 seconds